N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C23H21N5O4 — CID 177187236

About N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177187236) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 177187236
• Molecular Formula: C23H21N5O4
• Molecular Weight: 431.45 g/mol
• Exact Mass: 431.16
• IUPAC Name: N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: Cc1ncc(-c2nc3nc(C4(O)CCOC4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C23H21N5O4/c1-12-15-9-25-19(27-21(29)13-2-3-13)8-14(15)16(10-24-12)22-28-20-17(32-22)4-5-18(26-20)23(30)6-7-31-11-23/h4-5,8-10,13,30H,2-3,6-7,11H2,1H3,(H,25,27,29)
• InChIKey: KPGKEQOAVZMATP-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 123.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.45
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177187236) is N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ncc(-c2nc3nc(C4(O)CCOC4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is KPGKEQOAVZMATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-12-15-9-25-19(27-21(29)13-2-3-13)8-14(15)16(10-24-12)22-28-20-17(32-22)4-5-18(26-20)23(30)6-7-31-11-23/h4-5,8-10,13,30H,2-3,6-7,11H2,1H3,(H,25,27,29).

What are the key properties of N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 431.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177187236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).