3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C25H26N6O3 — CID 163280105

About 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 163280105) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 163280105
• Molecular Formula: C25H26N6O3
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.21
• IUPAC Name: 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• SMILES: Cn1ncc2c(Nc3c(-c4ccncc4OC[C@H]4CCCO4)[nH]c4c3C(=O)NCC4)cccc21
• InChI: InChI=1S/C25H26N6O3/c1-31-20-6-2-5-18(17(20)12-28-31)29-24-22-19(8-10-27-25(22)32)30-23(24)16-7-9-26-13-21(16)34-14-15-4-3-11-33-15/h2,5-7,9,12-13,15,29-30H,3-4,8,10-11,14H2,1H3,(H,27,32)/t15-/m1/s1
• InChIKey: CZCVGZFCZCPPSF-OAHLLOKOSA-N
• XLogP: 3.55
• TPSA: 106.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 163280105) is 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Cn1ncc2c(Nc3c(-c4ccncc4OC[C@H]4CCCO4)[nH]c4c3C(=O)NCC4)cccc21.

What is the InChIKey of 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is CZCVGZFCZCPPSF-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-31-20-6-2-5-18(17(20)12-28-31)29-24-22-19(8-10-27-25(22)32)30-23(24)16-7-9-26-13-21(16)34-14-15-4-3-11-33-15/h2,5-7,9,12-13,15,29-30H,3-4,8,10-11,14H2,1H3,(H,27,32)/t15-/m1/s1.

What are the key properties of 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 458.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 163280105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).