5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one

C25H23N7O3 — CID 90098918

IUPAC5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one
SMILESCOc1cncc2nc(-c3ccnc(Nc4ccccc4)c3)nc(C3CNCC4C(=O)OCN43)c12
InChIInChI=1S/C25H23N7O3/c1-34-20-13-26-10-17-22(20)23(18-11-27-12-19-25(33)35-14-32(18)19)31-24(30-17)15-7-8-28-21(9-15)29-16-5-3-2-4-6-16/h2-10,13,18-19,27H,11-12,14H2,1H3,(H,28,29)
InChIKeyUOKDSNQVXWCMDQ-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.67
Rot. Bonds5

About 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one

5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one (PubChem CID 90098918) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one.

Molecular Properties

Compound Name5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one
PubChem CID90098918
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one
SMILESCOc1cncc2nc(-c3ccnc(Nc4ccccc4)c3)nc(C3CNCC4C(=O)OCN43)c12
InChIInChI=1S/C25H23N7O3/c1-34-20-13-26-10-17-22(20)23(18-11-27-12-19-25(33)35-14-32(18)19)31-24(30-17)15-7-8-28-21(9-15)29-16-5-3-2-4-6-16/h2-10,13,18-19,27H,11-12,14H2,1H3,(H,28,29)
InChIKeyUOKDSNQVXWCMDQ-UHFFFAOYSA-N
XLogP2.67
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]pyrimidin-5-amine
CID 90099994
2-(2-anilino-4-pyridinyl)-N-[(5S)-3-azabicyclo[3.1.0]hexan-6-yl]-5-(cyclobutadienyl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388516
4-[5-cyclopropyl-4-[(3R)-3-(methylsulfonylmethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]-N-phenylpyridin-2-amine
CID 90098920
N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine
CID 155394400
4-[5-cyclopropyl-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]-N-phenylpyridin-2-amine
CID 90098503
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine
CID 90099605
4-[5-cyclopropyl-4-(3,3-dimethylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-N-(4-fluorophenyl)pyridin-2-amine
CID 90099129
4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine
CID 86716713
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-fluorophenyl)pyridin-2-amine
CID 86716695
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-methylphenyl)pyridin-2-amine
CID 90099798
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-methylpyridin-3-amine
CID 90099833
4-[5-cyclopropyl-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]-N-(4-fluorophenyl)pyridin-2-amine
CID 90099731

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one?
The IUPAC name of 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one (CID 90098918) is 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one.
What is the SMILES notation for 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one?
The canonical SMILES for 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one is COc1cncc2nc(-c3ccnc(Nc4ccccc4)c3)nc(C3CNCC4C(=O)OCN43)c12.
What is the InChIKey of 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one?
The InChIKey is UOKDSNQVXWCMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c1-34-20-13-26-10-17-22(20)23(18-11-27-12-19-25(33)35-14-32(18)19)31-24(30-17)15-7-8-28-21(9-15)29-16-5-3-2-4-6-16/h2-10,13,18-19,27H,11-12,14H2,1H3,(H,28,29).
What are the key properties of 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one?
5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one has a molecular weight of 469.51 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-anilino-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one is sourced from PubChem (CID 90098918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).