N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide

C24H22F2N6O — CID 139495925

IUPACN-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cnn2ccc(N3CCC[C@]3(C)c3cc(F)ccc3F)nc12
InChIInChI=1S/C24H22F2N6O/c1-15-5-3-10-27-21(15)23(33)29-19-14-28-32-12-8-20(30-22(19)32)31-11-4-9-24(31,2)17-13-16(25)6-7-18(17)26/h3,5-8,10,12-14H,4,9,11H2,1-2H3,(H,29,33)/t24-/m1/s1
InChIKeyYUSFAUSMCVWMIX-XMMPIXPASA-N
MW448.48 g/mol
LogP4.48
Rot. Bonds4

About N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide

N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide (PubChem CID 139495925) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
PubChem CID139495925
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC NameN-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cnn2ccc(N3CCC[C@]3(C)c3cc(F)ccc3F)nc12
InChIInChI=1S/C24H22F2N6O/c1-15-5-3-10-27-21(15)23(33)29-19-14-28-32-12-8-20(30-22(19)32)31-11-4-9-24(31,2)17-13-16(25)6-7-18(17)26/h3,5-8,10,12-14H,4,9,11H2,1-2H3,(H,29,33)/t24-/m1/s1
InChIKeyYUSFAUSMCVWMIX-XMMPIXPASA-N
XLogP4.48
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide (CID 139495925) is N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1cnn2ccc(N3CCC[C@]3(C)c3cc(F)ccc3F)nc12.
What is the InChIKey of N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is YUSFAUSMCVWMIX-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-15-5-3-10-27-21(15)23(33)29-19-14-28-32-12-8-20(30-22(19)32)31-11-4-9-24(31,2)17-13-16(25)6-7-18(17)26/h3,5-8,10,12-14H,4,9,11H2,1-2H3,(H,29,33)/t24-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide?
N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 139495925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).