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

C23H23FN10O3 — CID 137449325

IUPAC5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cnc(C(=O)N(C)C)cn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C23H23FN10O3/c1-25-18-8-17(31-20-12(9-28-34(18)20)21(35)30-15-7-13(15)24)29-14-5-4-6-33(23(14)37)19-11-26-16(10-27-19)22(36)32(2)3/h4-6,8-11,13,15,25H,7H2,1-3H3,(H,29,31)(H,30,35)/t13-,15+/m1/s1
InChIKeyLWWGLJCJCIBTCE-HIFRSBDPSA-N
MW506.50 g/mol
LogP1.00
Rot. Bonds7

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

5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449325) has the molecular formula C23H23FN10O3 and a molecular weight of 506.50 g/mol. Its IUPAC name is 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-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-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449325
Molecular FormulaC23H23FN10O3
Molecular Weight506.50 g/mol
Exact Mass506.19
IUPAC Name5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cnc(C(=O)N(C)C)cn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C23H23FN10O3/c1-25-18-8-17(31-20-12(9-28-34(18)20)21(35)30-15-7-13(15)24)29-14-5-4-6-33(23(14)37)19-11-26-16(10-27-19)22(36)32(2)3/h4-6,8-11,13,15,25H,7H2,1-3H3,(H,29,31)(H,30,35)/t13-,15+/m1/s1
InChIKeyLWWGLJCJCIBTCE-HIFRSBDPSA-N
XLogP1.00
TPSA151.44 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.50
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-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-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449325) is 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-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-[5-(dimethylcarbamoyl)pyrazin-2-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-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cnc(C(=O)N(C)C)cn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LWWGLJCJCIBTCE-HIFRSBDPSA-N. The full InChI is InChI=1S/C23H23FN10O3/c1-25-18-8-17(31-20-12(9-28-34(18)20)21(35)30-15-7-13(15)24)29-14-5-4-6-33(23(14)37)19-11-26-16(10-27-19)22(36)32(2)3/h4-6,8-11,13,15,25H,7H2,1-3H3,(H,29,31)(H,30,35)/t13-,15+/m1/s1.
What are the key properties of 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-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 506.50 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-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 137449325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).