N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide

C23H20F2N6O — CID 58386273

IUPACN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)n1
InChIInChI=1S/C23H20F2N6O/c1-14-4-2-5-18(27-14)23(32)28-19-13-26-31-11-9-21(29-22(19)31)30-10-3-6-20(30)16-12-15(24)7-8-17(16)25/h2,4-5,7-9,11-13,20H,3,6,10H2,1H3,(H,28,32)/t20-/m1/s1
InChIKeyMLUHWYZNTZXEFX-HXUWFJFHSA-N
MW434.45 g/mol
LogP4.30
Rot. Bonds4

About N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide (PubChem CID 58386273) has the molecular formula C23H20F2N6O and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide
PubChem CID58386273
Molecular FormulaC23H20F2N6O
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)n1
InChIInChI=1S/C23H20F2N6O/c1-14-4-2-5-18(27-14)23(32)28-19-13-26-31-11-9-21(29-22(19)31)30-10-3-6-20(30)16-12-15(24)7-8-17(16)25/h2,4-5,7-9,11-13,20H,3,6,10H2,1H3,(H,28,32)/t20-/m1/s1
InChIKeyMLUHWYZNTZXEFX-HXUWFJFHSA-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-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide (CID 58386273) is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)n1.
What is the InChIKey of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is MLUHWYZNTZXEFX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20F2N6O/c1-14-4-2-5-18(27-14)23(32)28-19-13-26-31-11-9-21(29-22(19)31)30-10-3-6-20(30)16-12-15(24)7-8-17(16)25/h2,4-5,7-9,11-13,20H,3,6,10H2,1H3,(H,28,32)/t20-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide?
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-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-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 58386273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).