(2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide

C26H24N4O4 — CID 177187332

About (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide

(2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide (PubChem CID 177187332) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
• PubChem CID: 177187332
• Molecular Formula: C26H24N4O4
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.18
• IUPAC Name: (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
• SMILES: Cc1ncc(-c2nc3cc([C@@]4(O)CCOC4)ccc3o2)c2cc(NC(=O)[C@H]3CC34CC4)ncc12
• InChI: InChI=1S/C26H24N4O4/c1-14-17-11-28-22(30-23(31)19-10-25(19)4-5-25)9-16(17)18(12-27-14)24-29-20-8-15(2-3-21(20)34-24)26(32)6-7-33-13-26/h2-3,8-9,11-12,19,32H,4-7,10,13H2,1H3,(H,28,30,31)/t19-,26-/m1/s1
• InChIKey: WDYAAESMPUNIHA-NIYFSFCBSA-N
• XLogP: 4.09
• TPSA: 110.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?

The IUPAC name of (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide (CID 177187332) is (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide.

What is the SMILES notation for (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?

The canonical SMILES for (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide is Cc1ncc(-c2nc3cc([C@@]4(O)CCOC4)ccc3o2)c2cc(NC(=O)[C@H]3CC34CC4)ncc12.

What is the InChIKey of (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?

The InChIKey is WDYAAESMPUNIHA-NIYFSFCBSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-14-17-11-28-22(30-23(31)19-10-25(19)4-5-25)9-16(17)18(12-27-14)24-29-20-8-15(2-3-21(20)34-24)26(32)6-7-33-13-26/h2-3,8-9,11-12,19,32H,4-7,10,13H2,1H3,(H,28,30,31)/t19-,26-/m1/s1.

What are the key properties of (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?

(2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 177187332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).