N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide

C125H149N17O13 — CID 158335417

IUPACN-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
SMILESC=C1CC(C(=O)Nc2ccc(-n3nc(C(=O)N(CCCC)CCCC)cc3C)c(C(=O)N3Cc4ccccc4C[C@H]3CO)c2)=CC(c2ccccc2)N1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C3CC(=O)N(Cc4ccc(C)cc4)C3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)[C@@H](C)c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C43H52N6O5.C43H50N6O4.C39H47N5O4/c1-5-7-19-46(20-8-6-2)43(54)38-21-30(4)49(45-38)39-18-17-35(24-37(39)42(53)48-27-33-12-10-9-11-32(33)22-36(48)28-50)44-41(52)34-23-40(51)47(26-34)25-31-15-13-29(3)14-16-31;1-5-7-20-47(21-8-6-2)43(53)39-23-30(4)49(46-39)40-19-18-35(45-41(51)34-22-29(3)44-38(25-34)31-14-10-9-11-15-31)26-37(40)42(52)48-27-33-17-13-12-16-32(33)24-36(48)28-50;1-5-7-20-42(21-8-6-2)39(48)35-22-27(3)44(41-35)36-19-18-32(40-37(46)28(4)29-14-10-9-11-15-29)24-34(36)38(47)43-25-31-17-13-12-16-30(31)23-33(43)26-45/h9-18,21,24,34,36,50H,5-8,19-20,22-23,25-28H2,1-4H3,(H,44,52);9-19,23,25-26,36,38,44,50H,3,5-8,20-22,24,27-28H2,1-2,4H3,(H,45,51);9-19,22,24,28,33,45H,5-8,20-21,23,25-26H2,1-4H3,(H,40,46)/t34?,36-;36-,38?;28-,33-/m000/s1
InChIKeyGQNDAAGWJXQMFH-XYXQHFSFSA-N
MW2097.67 g/mol
LogP19.50
Rot. Bonds40

About N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide

N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 158335417) has the molecular formula C125H149N17O13 and a molecular weight of 2097.67 g/mol. Its IUPAC name is N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID158335417
Molecular FormulaC125H149N17O13
Molecular Weight2097.67 g/mol
Exact Mass2096.15
IUPAC NameN-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
SMILESC=C1CC(C(=O)Nc2ccc(-n3nc(C(=O)N(CCCC)CCCC)cc3C)c(C(=O)N3Cc4ccccc4C[C@H]3CO)c2)=CC(c2ccccc2)N1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C3CC(=O)N(Cc4ccc(C)cc4)C3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)[C@@H](C)c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C43H52N6O5.C43H50N6O4.C39H47N5O4/c1-5-7-19-46(20-8-6-2)43(54)38-21-30(4)49(45-38)39-18-17-35(24-37(39)42(53)48-27-33-12-10-9-11-32(33)22-36(48)28-50)44-41(52)34-23-40(51)47(26-34)25-31-15-13-29(3)14-16-31;1-5-7-20-47(21-8-6-2)43(53)39-23-30(4)49(46-39)40-19-18-35(45-41(51)34-22-29(3)44-38(25-34)31-14-10-9-11-15-31)26-37(40)42(52)48-27-33-17-13-12-16-32(33)24-36(48)28-50;1-5-7-20-42(21-8-6-2)39(48)35-22-27(3)44(41-35)36-19-18-32(40-37(46)28(4)29-14-10-9-11-15-29)24-34(36)38(47)43-25-31-17-13-12-16-30(31)23-33(43)26-45/h9-18,21,24,34,36,50H,5-8,19-20,22-23,25-28H2,1-4H3,(H,44,52);9-19,23,25-26,36,38,44,50H,3,5-8,20-22,24,27-28H2,1-2,4H3,(H,45,51);9-19,22,24,28,33,45H,5-8,20-21,23,25-26H2,1-4H3,(H,40,46)/t34?,36-;36-,38?;28-,33-/m000/s1
InChIKeyGQNDAAGWJXQMFH-XYXQHFSFSA-N
XLogP19.50
TPSA355.65 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002097.67
LogP ≤ 519.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3-methylphenyl)-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide
CID 25256801
1-(2-(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3-methylphenyl)-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide
CID 44564607
1-(2-((R)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3-methylphenyl)-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide
CID 44593461
N,N-dibutyl-1-[4-(dimethylsulfinamoylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 117957650
N,N-dibutyl-1-[4-[[2-(2-fluorophenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 71610988
N,N-dibutyl-1-[4-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 71611928
N,N-dibutyl-1-[4-[[2-(3-fluorophenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 89660107
N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 89660125
N,N-dibutyl-1-[4-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 89660231
N,N-dibutyl-1-[4-[[3-(2-fluorophenyl)benzoyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 89660249
N,N-dibutyl-1-[4-[[2-(4-fluorophenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 89660275
N,N-dibutyl-1-[4-[[2-(3,4-difluorophenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 89660276

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide (CID 158335417) is N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide is C=C1CC(C(=O)Nc2ccc(-n3nc(C(=O)N(CCCC)CCCC)cc3C)c(C(=O)N3Cc4ccccc4C[C@H]3CO)c2)=CC(c2ccccc2)N1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C3CC(=O)N(Cc4ccc(C)cc4)C3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)[C@@H](C)c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.
What is the InChIKey of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is GQNDAAGWJXQMFH-XYXQHFSFSA-N. The full InChI is InChI=1S/C43H52N6O5.C43H50N6O4.C39H47N5O4/c1-5-7-19-46(20-8-6-2)43(54)38-21-30(4)49(45-38)39-18-17-35(24-37(39)42(53)48-27-33-12-10-9-11-32(33)22-36(48)28-50)44-41(52)34-23-40(51)47(26-34)25-31-15-13-29(3)14-16-31;1-5-7-20-47(21-8-6-2)43(53)39-23-30(4)49(46-39)40-19-18-35(45-41(51)34-22-29(3)44-38(25-34)31-14-10-9-11-15-31)26-37(40)42(52)48-27-33-17-13-12-16-32(33)24-36(48)28-50;1-5-7-20-42(21-8-6-2)39(48)35-22-27(3)44(41-35)36-19-18-32(40-37(46)28(4)29-14-10-9-11-15-29)24-34(36)38(47)43-25-31-17-13-12-16-30(31)23-33(43)26-45/h9-18,21,24,34,36,50H,5-8,19-20,22-23,25-28H2,1-4H3,(H,44,52);9-19,23,25-26,36,38,44,50H,3,5-8,20-22,24,27-28H2,1-2,4H3,(H,45,51);9-19,22,24,28,33,45H,5-8,20-21,23,25-26H2,1-4H3,(H,40,46)/t34?,36-;36-,38?;28-,33-/m000/s1.
What are the key properties of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2097.67 g/mol, XLogP of 19.50, 40 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-methylidene-2-phenyl-2,5-dihydro-1H-pyridine-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2S)-2-phenylpropanoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 158335417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).