5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

C22H24ClF3N6O — CID 67500261

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CCNC[C@@H]1F)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C22H23F3N6O.ClH/c23-13-3-4-16(24)14(10-13)19-2-1-8-30(19)20-6-9-31-21(29-20)15(11-27-31)22(32)28-18-5-7-26-12-17(18)25;/h3-4,6,9-11,17-19,26H,1-2,5,7-8,12H2,(H,28,32);1H/t17-,18+,19+;/m0./s1
InChIKeyXCFZBUSOJTXWBC-JQPLGUQCSA-N
MW480.92 g/mol
LogP3.20
Rot. Bonds4

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 67500261) has the molecular formula C22H24ClF3N6O and a molecular weight of 480.92 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID67500261
Molecular FormulaC22H24ClF3N6O
Molecular Weight480.92 g/mol
Exact Mass480.17
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CCNC[C@@H]1F)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C22H23F3N6O.ClH/c23-13-3-4-16(24)14(10-13)19-2-1-8-30(19)20-6-9-31-21(29-20)15(11-27-31)22(32)28-18-5-7-26-12-17(18)25;/h3-4,6,9-11,17-19,26H,1-2,5,7-8,12H2,(H,28,32);1H/t17-,18+,19+;/m0./s1
InChIKeyXCFZBUSOJTXWBC-JQPLGUQCSA-N
XLogP3.20
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 67500507
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
1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-[(1R,2R)-2-hydroxycyclopropyl]urea
CID 162355525
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501467
5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 77304224
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
5-[(2R)-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 68910098
N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68914782
2-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-4-yl]acetaldehyde
CID 88580144
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 121395110

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of 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) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is Cl.O=C(N[C@@H]1CCNC[C@@H]1F)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is XCFZBUSOJTXWBC-JQPLGUQCSA-N. The full InChI is InChI=1S/C22H23F3N6O.ClH/c23-13-3-4-16(24)14(10-13)19-2-1-8-30(19)20-6-9-31-21(29-20)15(11-27-31)22(32)28-18-5-7-26-12-17(18)25;/h3-4,6,9-11,17-19,26H,1-2,5,7-8,12H2,(H,28,32);1H/t17-,18+,19+;/m0./s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 480.92 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67500261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).