N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19F2N9O2 — CID 137449374

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H19F2N9O2/c1-23-17-5-16(28-18-12(7-25-31(17)18)19(32)27-14-4-13(14)22)26-15-3-10(21)8-30(20(15)33)11-6-24-29(2)9-11/h3,5-9,13-14,23H,4H2,1-2H3,(H,26,28)(H,27,32)/t13-,14+/m1/s1
InChIKeyOYFHBOCLFAFFLU-KGLIPLIRSA-N
MW455.43 g/mol
LogP1.38
Rot. Bonds6

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449374) has the molecular formula C20H19F2N9O2 and a molecular weight of 455.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449374
Molecular FormulaC20H19F2N9O2
Molecular Weight455.43 g/mol
Exact Mass455.16
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H19F2N9O2/c1-23-17-5-16(28-18-12(7-25-31(17)18)19(32)27-14-4-13(14)22)26-15-3-10(21)8-30(20(15)33)11-6-24-29(2)9-11/h3,5-9,13-14,23H,4H2,1-2H3,(H,26,28)(H,27,32)/t13-,14+/m1/s1
InChIKeyOYFHBOCLFAFFLU-KGLIPLIRSA-N
XLogP1.38
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181640
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181645
(R)-5-(5-Amino-3,3-difluoropiperidin-1-yl)-N-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181674
5-[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181675
5-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181676
US10329294, Example 90
CID 122516506
6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 122615173
N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155523586
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181627
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181639
US10329294, Example 253
CID 122516521
US10329294, Example 251
CID 122516550

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449374) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OYFHBOCLFAFFLU-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H19F2N9O2/c1-23-17-5-16(28-18-12(7-25-31(17)18)19(32)27-14-4-13(14)22)26-15-3-10(21)8-30(20(15)33)11-6-24-29(2)9-11/h3,5-9,13-14,23H,4H2,1-2H3,(H,26,28)(H,27,32)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).