5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H15FN8O2 — CID 137449542

IUPAC5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C18H15FN8O2/c1-21-15-7-13(25-17-11(16(20)28)9-23-27(15)17)24-12-3-2-6-26(18(12)29)14-5-4-10(19)8-22-14/h2-9,21H,1H3,(H2,20,28)(H,24,25)
InChIKeyNRWDBPRGRPQTKK-UHFFFAOYSA-N
MW394.37 g/mol
LogP1.30
Rot. Bonds5

About 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449542) has the molecular formula C18H15FN8O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449542
Molecular FormulaC18H15FN8O2
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC Name5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C18H15FN8O2/c1-21-15-7-13(25-17-11(16(20)28)9-23-27(15)17)24-12-3-2-6-26(18(12)29)14-5-4-10(19)8-22-14/h2-9,21H,1H3,(H2,20,28)(H,24,25)
InChIKeyNRWDBPRGRPQTKK-UHFFFAOYSA-N
XLogP1.30
TPSA132.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449542) is 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nc2c(C(N)=O)cnn12.
What is the InChIKey of 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NRWDBPRGRPQTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN8O2/c1-21-15-7-13(25-17-11(16(20)28)9-23-27(15)17)24-12-3-2-6-26(18(12)29)14-5-4-10(19)8-22-14/h2-9,21H,1H3,(H2,20,28)(H,24,25).
What are the key properties of 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).