(2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C29H29N7O2 — CID 139468959

About (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

(2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 139468959) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 139468959
• Molecular Formula: C29H29N7O2
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.24
• IUPAC Name: (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: Cc1cc(-c2nc(C(C)C)co2)ccc1-c1cc2cc(NC(=O)C3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
• InChI: InChI=1S/C29H29N7O2/c1-15(2)25-14-38-29(34-25)17-5-6-20(16(3)7-17)24-8-18-9-26(31-12-23(18)27(30)33-24)35-28(37)22-10-21(22)19-11-32-36(4)13-19/h5-9,11-15,21-22H,10H2,1-4H3,(H2,30,33)(H,31,35,37)/t21-,22?/m0/s1
• InChIKey: HYEYTERRHJAZLR-HMTLIYDFSA-N
• XLogP: 5.44
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 139468959) is (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(-c2nc(C(C)C)co2)ccc1-c1cc2cc(NC(=O)C3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.

What is the InChIKey of (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is HYEYTERRHJAZLR-HMTLIYDFSA-N. The full InChI is InChI=1S/C29H29N7O2/c1-15(2)25-14-38-29(34-25)17-5-6-20(16(3)7-17)24-8-18-9-26(31-12-23(18)27(30)33-24)35-28(37)22-10-21(22)19-11-32-36(4)13-19/h5-9,11-15,21-22H,10H2,1-4H3,(H2,30,33)(H,31,35,37)/t21-,22?/m0/s1.

What are the key properties of (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

(2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 507.60 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139468959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).