N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide

C32H31N5O4 — CID 22724256

About N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide

N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide (PubChem CID 22724256) has the molecular formula C32H31N5O4 and a molecular weight of 549.63 g/mol. Its IUPAC name is N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide.

Molecular Properties

• Compound Name: N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide
• PubChem CID: 22724256
• Molecular Formula: C32H31N5O4
• Molecular Weight: 549.63 g/mol
• Exact Mass: 549.24
• IUPAC Name: N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide
• SMILES: CC(C)Oc1cc(OC(C)C)cc(C(=O)Nc2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1
• InChI: InChI=1S/C32H31N5O4/c1-20(2)40-26-15-23(16-27(18-26)41-21(3)4)31(38)35-24-9-5-10-25(17-24)37-30-28(11-7-13-34-30)36-29(32(37)39)14-22-8-6-12-33-19-22/h5-13,15-21H,14H2,1-4H3,(H,35,38)
• InChIKey: IPAGDIWGHIKWOT-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 108.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.63
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide?

The IUPAC name of N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide (CID 22724256) is N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide.

What is the SMILES notation for N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide?

The canonical SMILES for N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide is CC(C)Oc1cc(OC(C)C)cc(C(=O)Nc2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1.

What is the InChIKey of N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide?

The InChIKey is IPAGDIWGHIKWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O4/c1-20(2)40-26-15-23(16-27(18-26)41-21(3)4)31(38)35-24-9-5-10-25(17-24)37-30-28(11-7-13-34-30)36-29(32(37)39)14-22-8-6-12-33-19-22/h5-13,15-21H,14H2,1-4H3,(H,35,38).

What are the key properties of N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide?

N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide has a molecular weight of 549.63 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3,5-di(propan-2-yloxy)benzamide is sourced from PubChem (CID 22724256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).