3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C30H28ClF2N5 — CID 137353267

About 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137353267) has the molecular formula C30H28ClF2N5 and a molecular weight of 532.04 g/mol. Its IUPAC name is 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 137353267
• Molecular Formula: C30H28ClF2N5
• Molecular Weight: 532.04 g/mol
• Exact Mass: 531.20
• IUPAC Name: 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: Cc1cccc(C)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(C(C)C)cc1F)CC2
• InChI: InChI=1S/C30H28ClF2N5/c1-16(2)19-12-24(33)30(35-14-19)37-11-9-25-21(15-37)29(38(36-25)28-17(3)6-5-7-18(28)4)26-20-8-10-34-27(20)22(31)13-23(26)32/h5-8,10,12-14,16,34H,9,11,15H2,1-4H3
• InChIKey: KORPAWLWOLQXSV-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 49.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.04
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137353267) is 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1cccc(C)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(C(C)C)cc1F)CC2.

What is the InChIKey of 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is KORPAWLWOLQXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF2N5/c1-16(2)19-12-24(33)30(35-14-19)37-11-9-25-21(15-37)29(38(36-25)28-17(3)6-5-7-18(28)4)26-20-8-10-34-27(20)22(31)13-23(26)32/h5-8,10,12-14,16,34H,9,11,15H2,1-4H3.

What are the key properties of 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 532.04 g/mol, XLogP of 7.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).