2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one

C25H21N7O2 — CID 170095997

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-n4cccn4)cc3)c2n1
InChIInChI=1S/C25H21N7O2/c1-34-25-21(22(17-5-6-17)27-15-28-25)23-26-13-18-7-10-20(33)31(24(18)30-23)14-16-3-8-19(9-4-16)32-12-2-11-29-32/h2-4,7-13,15,17H,5-6,14H2,1H3
InChIKeyOIXBVTLTVSJKSE-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170095997) has the molecular formula C25H21N7O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID170095997
Molecular FormulaC25H21N7O2
Molecular Weight451.49 g/mol
Exact Mass451.18
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-n4cccn4)cc3)c2n1
InChIInChI=1S/C25H21N7O2/c1-34-25-21(22(17-5-6-17)27-15-28-25)23-26-13-18-7-10-20(33)31(24(18)30-23)14-16-3-8-19(9-4-16)32-12-2-11-29-32/h2-4,7-13,15,17H,5-6,14H2,1H3
InChIKeyOIXBVTLTVSJKSE-UHFFFAOYSA-N
XLogP3.37
TPSA100.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 170095997) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-n4cccn4)cc3)c2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OIXBVTLTVSJKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2/c1-34-25-21(22(17-5-6-17)27-15-28-25)23-26-13-18-7-10-20(33)31(24(18)30-23)14-16-3-8-19(9-4-16)32-12-2-11-29-32/h2-4,7-13,15,17H,5-6,14H2,1H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 451.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[(4-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170095997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).