N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C27H23N7 — CID 137114213

About N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137114213) has the molecular formula C27H23N7 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 137114213
• Molecular Formula: C27H23N7
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.20
• IUPAC Name: N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C27H23N7/c1-16(2)31-19-11-18(14-28-15-19)17-6-7-23-20(12-17)27(34-33-23)25-13-21-22(32-25)8-10-30-26(21)24-5-3-4-9-29-24/h3-16,31-32H,1-2H3,(H,33,34)
• InChIKey: BRXWEZXTXABTQV-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137114213) is N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

What is the SMILES notation for N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The canonical SMILES for N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)nccc5[nH]4)c3c2)c1.

What is the InChIKey of N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The InChIKey is BRXWEZXTXABTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7/c1-16(2)31-19-11-18(14-28-15-19)17-6-7-23-20(12-17)27(34-33-23)25-13-21-22(32-25)8-10-30-26(21)24-5-3-4-9-29-24/h3-16,31-32H,1-2H3,(H,33,34).

What are the key properties of N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 445.53 g/mol, XLogP of 6.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137114213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).