5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H30F2N6O2 — CID 166846272

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C2CCNCC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C29H30F2N6O2/c1-39-26-15-19(18-8-11-32-12-9-18)4-7-24(26)34-29(38)22-17-33-37-14-10-27(35-28(22)37)36-13-2-3-25(36)21-16-20(30)5-6-23(21)31/h4-7,10,14-18,25,32H,2-3,8-9,11-13H2,1H3,(H,34,38)/t25-/m1/s1
InChIKeyLPMGEEOZLKLHRX-RUZDIDTESA-N
MW532.60 g/mol
LogP5.08
Rot. Bonds6

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166846272) has the molecular formula C29H30F2N6O2 and a molecular weight of 532.60 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166846272
Molecular FormulaC29H30F2N6O2
Molecular Weight532.60 g/mol
Exact Mass532.24
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C2CCNCC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C29H30F2N6O2/c1-39-26-15-19(18-8-11-32-12-9-18)4-7-24(26)34-29(38)22-17-33-37-14-10-27(35-28(22)37)36-13-2-3-25(36)21-16-20(30)5-6-23(21)31/h4-7,10,14-18,25,32H,2-3,8-9,11-13H2,1H3,(H,34,38)/t25-/m1/s1
InChIKeyLPMGEEOZLKLHRX-RUZDIDTESA-N
XLogP5.08
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide
CID 137492625
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide
CID 137492619
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 67500261
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500507
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 137492623
2-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxoacetic acid
CID 58386308
tert-butyl N-[2-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-methylpropyl]carbamate
CID 66848131
tert-butyl N-[2-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-methylpropyl]carbamate
CID 66848130
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide
CID 137492639
5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501484
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86664577
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 45273880

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166846272) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(C2CCNCC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LPMGEEOZLKLHRX-RUZDIDTESA-N. The full InChI is InChI=1S/C29H30F2N6O2/c1-39-26-15-19(18-8-11-32-12-9-18)4-7-24(26)34-29(38)22-17-33-37-14-10-27(35-28(22)37)36-13-2-3-25(36)21-16-20(30)5-6-23(21)31/h4-7,10,14-18,25,32H,2-3,8-9,11-13H2,1H3,(H,34,38)/t25-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166846272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).