3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile

C23H25N7O2 — CID 172611973

About 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile

3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile (PubChem CID 172611973) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile.

Molecular Properties

• Compound Name: 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile
• PubChem CID: 172611973
• Molecular Formula: C23H25N7O2
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.21
• IUPAC Name: 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile
• SMILES: Cc1nc2c(C34CC(C#N)(C3)C4)nc(N3CCO[C@H](c4cnn(C)c4)C3)cc2c(=O)n1C
• InChI: InChI=1S/C23H25N7O2/c1-14-26-19-16(21(31)29(14)3)6-18(27-20(19)23-10-22(11-23,12-23)13-24)30-4-5-32-17(9-30)15-7-25-28(2)8-15/h6-8,17H,4-5,9-12H2,1-3H3/t17-,22?,23?/m0/s1
• InChIKey: OMZOJFLDWUTCTC-YTZBPGPESA-N
• XLogP: 1.89
• TPSA: 101.86 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile?

The IUPAC name of 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile (CID 172611973) is 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile.

What is the SMILES notation for 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile?

The canonical SMILES for 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile is Cc1nc2c(C34CC(C#N)(C3)C4)nc(N3CCO[C@H](c4cnn(C)c4)C3)cc2c(=O)n1C.

What is the InChIKey of 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile?

The InChIKey is OMZOJFLDWUTCTC-YTZBPGPESA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14-26-19-16(21(31)29(14)3)6-18(27-20(19)23-10-22(11-23,12-23)13-24)30-4-5-32-17(9-30)15-7-25-28(2)8-15/h6-8,17H,4-5,9-12H2,1-3H3/t17-,22?,23?/m0/s1.

What are the key properties of 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile?

3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile has a molecular weight of 431.50 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile is sourced from PubChem (CID 172611973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).