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

C23H20F2N6O — CID 174226829

IUPACN-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cnn2ccc(N3CCCC3c3cccc(F)c3F)nc12
InChIInChI=1S/C23H20F2N6O/c1-14-5-3-10-26-21(14)23(32)28-17-13-27-31-12-9-19(29-22(17)31)30-11-4-8-18(30)15-6-2-7-16(24)20(15)25/h2-3,5-7,9-10,12-13,18H,4,8,11H2,1H3,(H,28,32)
InChIKeySQBGVXDZQFEVRB-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.30
Rot. Bonds4

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

N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide (PubChem CID 174226829) has the molecular formula C23H20F2N6O and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
PubChem CID174226829
Molecular FormulaC23H20F2N6O
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC NameN-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cnn2ccc(N3CCCC3c3cccc(F)c3F)nc12
InChIInChI=1S/C23H20F2N6O/c1-14-5-3-10-26-21(14)23(32)28-17-13-27-31-12-9-19(29-22(17)31)30-11-4-8-18(30)15-6-2-7-16(24)20(15)25/h2-3,5-7,9-10,12-13,18H,4,8,11H2,1H3,(H,28,32)
InChIKeySQBGVXDZQFEVRB-UHFFFAOYSA-N
XLogP4.30
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide (CID 174226829) is N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1cnn2ccc(N3CCCC3c3cccc(F)c3F)nc12.
What is the InChIKey of N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is SQBGVXDZQFEVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O/c1-14-5-3-10-26-21(14)23(32)28-17-13-27-31-12-9-19(29-22(17)31)30-11-4-8-18(30)15-6-2-7-16(24)20(15)25/h2-3,5-7,9-10,12-13,18H,4,8,11H2,1H3,(H,28,32).
What are the key properties of N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide?
N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 174226829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).