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

C21H21F2N9O2 — CID 137450131

IUPAC5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3cc(C)n(C)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C21H21F2N9O2/c1-10-4-18(29-30(10)3)31-9-11(22)5-15(21(31)34)26-16-7-17(24-2)32-19(28-16)12(8-25-32)20(33)27-14-6-13(14)23/h4-5,7-9,13-14,24H,6H2,1-3H3,(H,26,28)(H,27,33)/t13-,14+/m1/s1
InChIKeyQEIVMBGMKQGUOA-KGLIPLIRSA-N
MW469.46 g/mol
LogP1.69
Rot. Bonds6

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

5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450131) has the molecular formula C21H21F2N9O2 and a molecular weight of 469.46 g/mol. Its IUPAC name is 5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450131
Molecular FormulaC21H21F2N9O2
Molecular Weight469.46 g/mol
Exact Mass469.18
IUPAC Name5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3cc(C)n(C)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C21H21F2N9O2/c1-10-4-18(29-30(10)3)31-9-11(22)5-15(21(31)34)26-16-7-17(24-2)32-19(28-16)12(8-25-32)20(33)27-14-6-13(14)23/h4-5,7-9,13-14,24H,6H2,1-3H3,(H,26,28)(H,27,33)/t13-,14+/m1/s1
InChIKeyQEIVMBGMKQGUOA-KGLIPLIRSA-N
XLogP1.69
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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5-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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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
Anagliptin hydrochloride
CID 54764334
US10155765, Example 31
CID 121493987
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181631
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181643
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

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450131) is 5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cn(-c3cc(C)n(C)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QEIVMBGMKQGUOA-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H21F2N9O2/c1-10-4-18(29-30(10)3)31-9-11(22)5-15(21(31)34)26-16-7-17(24-2)32-19(28-16)12(8-25-32)20(33)27-14-6-13(14)23/h4-5,7-9,13-14,24H,6H2,1-3H3,(H,26,28)(H,27,33)/t13-,14+/m1/s1.
What are the key properties of 5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.46 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).