2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol

C23H26N6O — CID 162433630

About 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol

2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol (PubChem CID 162433630) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol.

Molecular Properties

• Compound Name: 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
• PubChem CID: 162433630
• Molecular Formula: C23H26N6O
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.22
• IUPAC Name: 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
• SMILES: CC(C)N[C@H]1CCN(c2ccc3nc(-c4cc5cn(C)nc5cc4O)ccc3n2)C1
• InChI: InChI=1S/C23H26N6O/c1-14(2)24-16-8-9-29(13-16)23-7-6-19-20(26-23)5-4-18(25-19)17-10-15-12-28(3)27-21(15)11-22(17)30/h4-7,10-12,14,16,24,30H,8-9,13H2,1-3H3/t16-/m0/s1
• InChIKey: VVUSOIKMYRFBJN-INIZCTEOSA-N
• XLogP: 3.47
• TPSA: 79.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol?

The IUPAC name of 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol (CID 162433630) is 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol.

What is the SMILES notation for 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol?

The canonical SMILES for 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol is CC(C)N[C@H]1CCN(c2ccc3nc(-c4cc5cn(C)nc5cc4O)ccc3n2)C1.

What is the InChIKey of 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol?

The InChIKey is VVUSOIKMYRFBJN-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N6O/c1-14(2)24-16-8-9-29(13-16)23-7-6-19-20(26-23)5-4-18(25-19)17-10-15-12-28(3)27-21(15)11-22(17)30/h4-7,10-12,14,16,24,30H,8-9,13H2,1-3H3/t16-/m0/s1.

What are the key properties of 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol?

2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol has a molecular weight of 402.50 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol is sourced from PubChem (CID 162433630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).