(2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

C127H126F13N23O17 — CID 161076537

IUPAC(2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2C(C)CCC2C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCC[C@H]2C(N)=O)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C34H32F4N6O4.C34H33F3N6O4.C30H32F3N5O4.C29H29F3N6O5/c1-40(2)31(45)21-4-8-24(9-5-21)43-15-14-26-29(33(43)47)44(39-30(26)34(36,37)38)28-13-12-25(48-3)20-27(28)32(46)42-18-16-41(17-19-42)23-10-6-22(35)7-11-23;1-39(2)31(44)22-9-11-24(12-10-22)42-16-15-26-29(33(42)46)43(38-30(26)34(35,36)37)28-14-13-25(47-3)21-27(28)32(45)41-19-17-40(18-20-41)23-7-5-4-6-8-23;1-17-6-7-18(2)37(17)28(40)23-16-21(42-5)12-13-24(23)38-25-22(26(34-38)30(31,32)33)14-15-36(29(25)41)20-10-8-19(9-11-20)27(39)35(3)4;1-35(2)26(40)16-6-8-17(9-7-16)36-14-12-19-23(28(36)42)38(34-24(19)29(30,31)32)21-11-10-18(43-3)15-20(21)27(41)37-13-4-5-22(37)25(33)39/h4-13,20H,14-19H2,1-3H3;4-14,21H,15-20H2,1-3H3;8-13,16-18H,6-7,14-15H2,1-5H3;6-11,15,22H,4-5,12-14H2,1-3H3,(H2,33,39)/t;;;22-/m...0/s1
InChIKeyUFIVBOGSGUFBJF-PVGXOACXSA-N
MW2493.52 g/mol
LogP17.38
Rot. Bonds23

About (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

(2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 161076537) has the molecular formula C127H126F13N23O17 and a molecular weight of 2493.52 g/mol. Its IUPAC name is (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name(2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
PubChem CID161076537
Molecular FormulaC127H126F13N23O17
Molecular Weight2493.52 g/mol
Exact Mass2491.95
IUPAC Name(2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2C(C)CCC2C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCC[C@H]2C(N)=O)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C34H32F4N6O4.C34H33F3N6O4.C30H32F3N5O4.C29H29F3N6O5/c1-40(2)31(45)21-4-8-24(9-5-21)43-15-14-26-29(33(43)47)44(39-30(26)34(36,37)38)28-13-12-25(48-3)20-27(28)32(46)42-18-16-41(17-19-42)23-10-6-22(35)7-11-23;1-39(2)31(44)22-9-11-24(12-10-22)42-16-15-26-29(33(42)46)43(38-30(26)34(35,36)37)28-14-13-25(47-3)21-27(28)32(45)41-19-17-40(18-20-41)23-7-5-4-6-8-23;1-17-6-7-18(2)37(17)28(40)23-16-21(42-5)12-13-24(23)38-25-22(26(34-38)30(31,32)33)14-15-36(29(25)41)20-10-8-19(9-11-20)27(39)35(3)4;1-35(2)26(40)16-6-8-17(9-7-16)36-14-12-19-23(28(36)42)38(34-24(19)29(30,31)32)21-11-10-18(43-3)15-20(21)27(41)37-13-4-5-22(37)25(33)39/h4-13,20H,14-19H2,1-3H3;4-14,21H,15-20H2,1-3H3;8-13,16-18H,6-7,14-15H2,1-5H3;6-11,15,22H,4-5,12-14H2,1-3H3,(H2,33,39)/t;;;22-/m...0/s1
InChIKeyUFIVBOGSGUFBJF-PVGXOACXSA-N
XLogP17.38
TPSA401.49 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002493.52
LogP ≤ 517.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-[1-[2-(2-ethylpiperidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
CID 58630052
2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 58630053
2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]-5-methoxy-N-phenylbenzamide
CID 58630063
2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 58630066
2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 58630072
N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]-5-methoxybenzamide
CID 58630076
N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]-5-methoxybenzamide
CID 58630077
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide
CID 58630080
4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
CID 58630084
4-[1-[4-methoxy-2-[2-(piperidin-1-ylmethyl)piperidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
CID 58630090
4-[1-[4-methoxy-2-(4-phenylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
CID 58630093
4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
CID 58630095

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (CID 161076537) is (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2C(C)CCC2C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCC[C@H]2C(N)=O)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?
The InChIKey is UFIVBOGSGUFBJF-PVGXOACXSA-N. The full InChI is InChI=1S/C34H32F4N6O4.C34H33F3N6O4.C30H32F3N5O4.C29H29F3N6O5/c1-40(2)31(45)21-4-8-24(9-5-21)43-15-14-26-29(33(43)47)44(39-30(26)34(36,37)38)28-13-12-25(48-3)20-27(28)32(46)42-18-16-41(17-19-42)23-10-6-22(35)7-11-23;1-39(2)31(44)22-9-11-24(12-10-22)42-16-15-26-29(33(42)46)43(38-30(26)34(35,36)37)28-14-13-25(47-3)21-27(28)32(45)41-19-17-40(18-20-41)23-7-5-4-6-8-23;1-17-6-7-18(2)37(17)28(40)23-16-21(42-5)12-13-24(23)38-25-22(26(34-38)30(31,32)33)14-15-36(29(25)41)20-10-8-19(9-11-20)27(39)35(3)4;1-35(2)26(40)16-6-8-17(9-7-16)36-14-12-19-23(28(36)42)38(34-24(19)29(30,31)32)21-11-10-18(43-3)15-20(21)27(41)37-13-4-5-22(37)25(33)39/h4-13,20H,14-19H2,1-3H3;4-14,21H,15-20H2,1-3H3;8-13,16-18H,6-7,14-15H2,1-5H3;6-11,15,22H,4-5,12-14H2,1-3H3,(H2,33,39)/t;;;22-/m...0/s1.
What are the key properties of (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?
(2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 2493.52 g/mol, XLogP of 17.38, 23 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzoyl]pyrrolidine-2-carboxamide;4-[1-[2-(2,5-dimethylpyrrolidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 161076537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).