5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile

C24H25N7O4 — CID 56652590

About 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile

5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 56652590) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile
• PubChem CID: 56652590
• Molecular Formula: C24H25N7O4
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.20
• IUPAC Name: 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile
• SMILES: COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cc1C#N
• InChI: InChI=1S/C24H25N7O4/c1-14-21(34-15(2)29-14)24(32)31-6-4-18(11-31)35-23-19-12-30(7-5-20(19)27-13-28-23)17-8-16(9-25)22(33-3)26-10-17/h8,10,13,18H,4-7,11-12H2,1-3H3/t18-/m0/s1
• InChIKey: BKDNHUIUBQBYEI-SFHVURJKSA-N
• XLogP: 2.21
• TPSA: 130.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile?

The IUPAC name of 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile (CID 56652590) is 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile.

What is the SMILES notation for 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile?

The canonical SMILES for 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile is COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cc1C#N.

What is the InChIKey of 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile?

The InChIKey is BKDNHUIUBQBYEI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-14-21(34-15(2)29-14)24(32)31-6-4-18(11-31)35-23-19-12-30(7-5-20(19)27-13-28-23)17-8-16(9-25)22(33-3)26-10-17/h8,10,13,18H,4-7,11-12H2,1-3H3/t18-/m0/s1.

What are the key properties of 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile?

5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 475.51 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(3S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 56652590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).