N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide

C22H21FN6O — CID 134490987

IUPACN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1C=NN2C=CC(N3CCC[C@@H]3c3cccc(F)c3)=NC12)c1cccnc1
InChIInChI=1S/C22H21FN6O/c23-17-6-1-4-15(12-17)19-7-3-10-28(19)20-8-11-29-21(27-20)18(14-25-29)26-22(30)16-5-2-9-24-13-16/h1-2,4-6,8-9,11-14,18-19,21H,3,7,10H2,(H,26,30)/t18?,19-,21?/m1/s1
InChIKeyYZVOEWPPDUHJEP-OBXNSHGQSA-N
MW404.45 g/mol
LogP2.71
Rot. Bonds3

About N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide

N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide (PubChem CID 134490987) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide
PubChem CID134490987
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1C=NN2C=CC(N3CCC[C@@H]3c3cccc(F)c3)=NC12)c1cccnc1
InChIInChI=1S/C22H21FN6O/c23-17-6-1-4-15(12-17)19-7-3-10-28(19)20-8-11-29-21(27-20)18(14-25-29)26-22(30)16-5-2-9-24-13-16/h1-2,4-6,8-9,11-14,18-19,21H,3,7,10H2,(H,26,30)/t18?,19-,21?/m1/s1
InChIKeyYZVOEWPPDUHJEP-OBXNSHGQSA-N
XLogP2.71
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid
CID 156774048
5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid
CID 146380824
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562
N-cyclopentylpyridine-3-carboxamide
CID 805532
2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
CID 146380893
[3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine
CID 102813506
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 94198155
6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146380890
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146388088
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide (CID 134490987) is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide is O=C(NC1C=NN2C=CC(N3CCC[C@@H]3c3cccc(F)c3)=NC12)c1cccnc1.
What is the InChIKey of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide?
The InChIKey is YZVOEWPPDUHJEP-OBXNSHGQSA-N. The full InChI is InChI=1S/C22H21FN6O/c23-17-6-1-4-15(12-17)19-7-3-10-28(19)20-8-11-29-21(27-20)18(14-25-29)26-22(30)16-5-2-9-24-13-16/h1-2,4-6,8-9,11-14,18-19,21H,3,7,10H2,(H,26,30)/t18?,19-,21?/m1/s1.
What are the key properties of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide?
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134490987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).