5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole

C86H84F8N28O — CID 159862022

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)n[nH]1.Cc1noc(C)c1-c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4cn(C5CCCNC5)nn4)c3n2)c1.Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4cn(C5CCNCC5)nn4)c3n2)c1
InChIInChI=1S/2C23H24F2N8.C21H19F2N5O.C19H17F2N7/c24-15-5-6-19(25)17(11-15)21-4-2-9-31(21)22-7-10-32-23(28-22)18(13-27-32)20-14-33(30-29-20)16-3-1-8-26-12-16;24-15-3-4-19(25)17(12-15)21-2-1-10-31(21)22-7-11-32-23(28-22)18(13-27-32)20-14-33(30-29-20)16-5-8-26-9-6-16;1-12-20(13(2)29-26-12)16-11-24-28-9-7-19(25-21(16)28)27-8-3-4-18(27)15-10-14(22)5-6-17(15)23;1-11-23-18(26-25-11)14-10-22-28-8-6-17(24-19(14)28)27-7-2-3-16(27)13-9-12(20)4-5-15(13)21/h5-7,10-11,13-14,16,21,26H,1-4,8-9,12H2;3-4,7,11-14,16,21,26H,1-2,5-6,8-10H2;5-7,9-11,18H,3-4,8H2,1-2H3;4-6,8-10,16H,2-3,7H2,1H3,(H,23,25,26)/t16?,21-;21-;;/m11../s1
InChIKeyNRGPMOXVLPOZMD-PEKLDHPXSA-N
MW1677.80 g/mol
LogP15.13
Rot. Bonds14

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159862022) has the molecular formula C86H84F8N28O and a molecular weight of 1677.80 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID159862022
Molecular FormulaC86H84F8N28O
Molecular Weight1677.80 g/mol
Exact Mass1676.73
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)n[nH]1.Cc1noc(C)c1-c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4cn(C5CCCNC5)nn4)c3n2)c1.Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4cn(C5CCNCC5)nn4)c3n2)c1
InChIInChI=1S/2C23H24F2N8.C21H19F2N5O.C19H17F2N7/c24-15-5-6-19(25)17(11-15)21-4-2-9-31(21)22-7-10-32-23(28-22)18(13-27-32)20-14-33(30-29-20)16-3-1-8-26-12-16;24-15-3-4-19(25)17(12-15)21-2-1-10-31(21)22-7-11-32-23(28-22)18(13-27-32)20-14-33(30-29-20)16-5-8-26-9-6-16;1-12-20(13(2)29-26-12)16-11-24-28-9-7-19(25-21(16)28)27-8-3-4-18(27)15-10-14(22)5-6-17(15)23;1-11-23-18(26-25-11)14-10-22-28-8-6-17(24-19(14)28)27-7-2-3-16(27)13-9-12(20)4-5-15(13)21/h5-7,10-11,13-14,16,21,26H,1-4,8-9,12H2;3-4,7,11-14,16,21,26H,1-2,5-6,8-10H2;5-7,9-11,18H,3-4,8H2,1-2H3;4-6,8-10,16H,2-3,7H2,1H3,(H,23,25,26)/t16?,21-;21-;;/m11../s1
InChIKeyNRGPMOXVLPOZMD-PEKLDHPXSA-N
XLogP15.13
TPSA286.80 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001677.80
LogP ≤ 515.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-((5-methylisoxazol-3-yl)methyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538961
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1,2,4-triazine-5-amine
CID 71621529
4-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole
CID 138690482
4-[1-[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole
CID 138690483
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157662930
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 158004900
3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2-pyrrolidin-1-ylethyl)-1,2-benzoxazol-6-amine
CID 158313099
7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-[[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-6-methyl-1,2-benzoxazole;N-[[3-[[7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 158470085
3-[2-[(3,3-difluorocyclobutyl)amino]prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[1-(6-methylidene-1H-pyridin-3-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 158926049
(E)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-(2-fluoro-3-pyridinyl)prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-(2-fluoro-3-pyridinyl)prop-2-enamide;(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-(2-fluoro-4-pyridinyl)prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-pyridazin-4-ylprop-2-enamide;(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide
CID 158956422
6-(1-Butyl-5-methyl-1,2,4-triazol-3-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;6-(1-ethyl-5-methyl-1,2,4-triazol-3-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;6-[1-(4-fluorobutyl)-5-methyl-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 159530573
(E)-1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine
CID 159750550

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole (CID 159862022) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole is Cc1nc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)n[nH]1.Cc1noc(C)c1-c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4cn(C5CCCNC5)nn4)c3n2)c1.Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4cn(C5CCNCC5)nn4)c3n2)c1.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NRGPMOXVLPOZMD-PEKLDHPXSA-N. The full InChI is InChI=1S/2C23H24F2N8.C21H19F2N5O.C19H17F2N7/c24-15-5-6-19(25)17(11-15)21-4-2-9-31(21)22-7-10-32-23(28-22)18(13-27-32)20-14-33(30-29-20)16-3-1-8-26-12-16;24-15-3-4-19(25)17(12-15)21-2-1-10-31(21)22-7-11-32-23(28-22)18(13-27-32)20-14-33(30-29-20)16-5-8-26-9-6-16;1-12-20(13(2)29-26-12)16-11-24-28-9-7-19(25-21(16)28)27-8-3-4-18(27)15-10-14(22)5-6-17(15)23;1-11-23-18(26-25-11)14-10-22-28-8-6-17(24-19(14)28)27-7-2-3-16(27)13-9-12(20)4-5-15(13)21/h5-7,10-11,13-14,16,21,26H,1-4,8-9,12H2;3-4,7,11-14,16,21,26H,1-2,5-6,8-10H2;5-7,9-11,18H,3-4,8H2,1-2H3;4-6,8-10,16H,2-3,7H2,1H3,(H,23,25,26)/t16?,21-;21-;;/m11../s1.
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1677.80 g/mol, XLogP of 15.13, 14 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159862022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).