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

C21H19FN8O2 — CID 137450201

IUPACN-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cncc(F)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H19FN8O2/c1-23-18-8-17(28-19-15(11-25-30(18)19)20(31)26-13-4-5-13)27-16-3-2-6-29(21(16)32)14-7-12(22)9-24-10-14/h2-3,6-11,13,23H,4-5H2,1H3,(H,26,31)(H,27,28)
InChIKeySZPYKOXKDUKJGB-UHFFFAOYSA-N
MW434.44 g/mol
LogP2.09
Rot. Bonds6

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

N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450201) has the molecular formula C21H19FN8O2 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450201
Molecular FormulaC21H19FN8O2
Molecular Weight434.44 g/mol
Exact Mass434.16
IUPAC NameN-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cncc(F)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H19FN8O2/c1-23-18-8-17(28-19-15(11-25-30(18)19)20(31)26-13-4-5-13)27-16-3-2-6-29(21(16)32)14-7-12(22)9-24-10-14/h2-3,6-11,13,23H,4-5H2,1H3,(H,26,31)(H,27,28)
InChIKeySZPYKOXKDUKJGB-UHFFFAOYSA-N
XLogP2.09
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450201) is N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cncc(F)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SZPYKOXKDUKJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O2/c1-23-18-8-17(28-19-15(11-25-30(18)19)20(31)26-13-4-5-13)27-16-3-2-6-29(21(16)32)14-7-12(22)9-24-10-14/h2-3,6-11,13,23H,4-5H2,1H3,(H,26,31)(H,27,28).
What are the key properties of N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).