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

C21H22FN9O2 — CID 137449138

IUPAC5-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C21H22FN9O2/c1-11-7-18(28-29(11)3)30-6-4-5-14(21(30)33)25-16-9-17(23-2)31-19(27-16)12(10-24-31)20(32)26-15-8-13(15)22/h4-7,9-10,13,15,23H,8H2,1-3H3,(H,25,27)(H,26,32)/t13-,15+/m1/s1
InChIKeySEEPRJNXPAXHQK-HIFRSBDPSA-N
MW451.47 g/mol
LogP1.55
Rot. Bonds6

About 5-[[1-(1,5-dimethylpyrazol-3-yl)-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)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449138) has the molecular formula C21H22FN9O2 and a molecular weight of 451.47 g/mol. Its IUPAC name is 5-[[1-(1,5-dimethylpyrazol-3-yl)-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)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449138
Molecular FormulaC21H22FN9O2
Molecular Weight451.47 g/mol
Exact Mass451.19
IUPAC Name5-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C21H22FN9O2/c1-11-7-18(28-29(11)3)30-6-4-5-14(21(30)33)25-16-9-17(23-2)31-19(27-16)12(10-24-31)20(32)26-15-8-13(15)22/h4-7,9-10,13,15,23H,8H2,1-3H3,(H,25,27)(H,26,32)/t13-,15+/m1/s1
InChIKeySEEPRJNXPAXHQK-HIFRSBDPSA-N
XLogP1.55
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 122181630
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
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US10155765, Example 31
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5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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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
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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5-[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1,5-dimethylpyrazol-3-yl)-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)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449138) is 5-[[1-(1,5-dimethylpyrazol-3-yl)-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)-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)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-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)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SEEPRJNXPAXHQK-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H22FN9O2/c1-11-7-18(28-29(11)3)30-6-4-5-14(21(30)33)25-16-9-17(23-2)31-19(27-16)12(10-24-31)20(32)26-15-8-13(15)22/h4-7,9-10,13,15,23H,8H2,1-3H3,(H,25,27)(H,26,32)/t13-,15+/m1/s1.
What are the key properties of 5-[[1-(1,5-dimethylpyrazol-3-yl)-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)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.47 g/mol, XLogP of 1.55, 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)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).