6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one

C24H25ClN6O3 — CID 90467217

IUPAC6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(CC[C@@H](O)CO)c2n1
InChIInChI=1S/C24H25ClN6O3/c1-3-27-24-28-11-16-8-19(23(34)31(22(16)30-24)7-6-17(33)13-32)18-5-4-15(9-20(18)25)21-12-26-10-14(2)29-21/h4-5,8-12,17,32-33H,3,6-7,13H2,1-2H3,(H,27,28,30)/t17-/m1/s1
InChIKeyOSFLQAGMJUXMFV-QGZVFWFLSA-N
MW480.96 g/mol
LogP3.05
Rot. Bonds8

About 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90467217) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID90467217
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC Name6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(CC[C@@H](O)CO)c2n1
InChIInChI=1S/C24H25ClN6O3/c1-3-27-24-28-11-16-8-19(23(34)31(22(16)30-24)7-6-17(33)13-32)18-5-4-15(9-20(18)25)21-12-26-10-14(2)29-21/h4-5,8-12,17,32-33H,3,6-7,13H2,1-2H3,(H,27,28,30)/t17-/m1/s1
InChIKeyOSFLQAGMJUXMFV-QGZVFWFLSA-N
XLogP3.05
TPSA126.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 90467217) is 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one is CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(CC[C@@H](O)CO)c2n1.
What is the InChIKey of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OSFLQAGMJUXMFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-3-27-24-28-11-16-8-19(23(34)31(22(16)30-24)7-6-17(33)13-32)18-5-4-15(9-20(18)25)21-12-26-10-14(2)29-21/h4-5,8-12,17,32-33H,3,6-7,13H2,1-2H3,(H,27,28,30)/t17-/m1/s1.
What are the key properties of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 480.96 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90467217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).