5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H19FN6O3 — CID 146407159

IUPAC5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CC[C@H]1O)c1cnn2ccc(Nc3cccn(-c4cccc(F)c4)c3=O)nc12
InChIInChI=1S/C22H19FN6O3/c23-13-3-1-4-14(11-13)28-9-2-5-17(22(28)32)25-19-8-10-29-20(27-19)15(12-24-29)21(31)26-16-6-7-18(16)30/h1-5,8-12,16,18,30H,6-7H2,(H,25,27)(H,26,31)/t16-,18-/m1/s1
InChIKeyPLFISYWPHVWGRN-SJLPKXTDSA-N
MW434.43 g/mol
LogP2.02
Rot. Bonds5

About 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146407159) has the molecular formula C22H19FN6O3 and a molecular weight of 434.43 g/mol. Its IUPAC name is 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146407159
Molecular FormulaC22H19FN6O3
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC Name5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CC[C@H]1O)c1cnn2ccc(Nc3cccn(-c4cccc(F)c4)c3=O)nc12
InChIInChI=1S/C22H19FN6O3/c23-13-3-1-4-14(11-13)28-9-2-5-17(22(28)32)25-19-8-10-29-20(27-19)15(12-24-29)21(31)26-16-6-7-18(16)30/h1-5,8-12,16,18,30H,6-7H2,(H,25,27)(H,26,31)/t16-,18-/m1/s1
InChIKeyPLFISYWPHVWGRN-SJLPKXTDSA-N
XLogP2.02
TPSA113.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo[1(2H),2'-bipyridin]-3-yl)amino]-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441492
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449296
4-(3-methoxy-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775470
N-cyclopropyl-5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441447
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441478
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441496
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441521
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441576
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449200
5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449220
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449249
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449398

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146407159) is 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(N[C@@H]1CC[C@H]1O)c1cnn2ccc(Nc3cccn(-c4cccc(F)c4)c3=O)nc12.
What is the InChIKey of 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PLFISYWPHVWGRN-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H19FN6O3/c23-13-3-1-4-14(11-13)28-9-2-5-17(22(28)32)25-19-8-10-29-20(27-19)15(12-24-29)21(31)26-16-6-7-18(16)30/h1-5,8-12,16,18,30H,6-7H2,(H,25,27)(H,26,31)/t16-,18-/m1/s1.
What are the key properties of 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146407159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).