2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride

C60H60Cl4N12O4 — CID 158178415

About 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride

2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride (PubChem CID 158178415) has the molecular formula C60H60Cl4N12O4 and a molecular weight of 1155.03 g/mol. Its IUPAC name is 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride
• PubChem CID: 158178415
• Molecular Formula: C60H60Cl4N12O4
• Molecular Weight: 1155.03 g/mol
• Exact Mass: 1152.36
• IUPAC Name: 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ncc(C)c(C(=O)O)n1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CNCC2.Cc1cnc(Cl)nc1C(=O)O.Cl
• InChI: InChI=1S/C30H29ClN6O2.C24H25ClN4.C6H5ClN2O2.ClH/c1-4-18-7-6-8-19(5-2)27(18)37-28(21-9-10-23(31)26-20(21)11-13-32-26)22-16-36(14-12-24(22)35-37)30-33-15-17(3)25(34-30)29(38)39;1-3-15-6-5-7-16(4-2)23(15)29-24(19-14-26-12-11-21(19)28-29)18-8-9-20(25)22-17(18)10-13-27-22;1-3-2-8-6(7)9-4(3)5(10)11;/h6-11,13,15,32H,4-5,12,14,16H2,1-3H3,(H,38,39);5-10,13,26-27H,3-4,11-12,14H2,1-2H3;2H,1H3,(H,10,11);1H
• InChIKey: RJRSDYTWNLWSRO-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 208.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1155.03
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride?

The IUPAC name of 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride (CID 158178415) is 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride.

What is the SMILES notation for 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride?

The canonical SMILES for 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ncc(C)c(C(=O)O)n1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CNCC2.Cc1cnc(Cl)nc1C(=O)O.Cl.

What is the InChIKey of 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride?

The InChIKey is RJRSDYTWNLWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN6O2.C24H25ClN4.C6H5ClN2O2.ClH/c1-4-18-7-6-8-19(5-2)27(18)37-28(21-9-10-23(31)26-20(21)11-13-32-26)22-16-36(14-12-24(22)35-37)30-33-15-17(3)25(34-30)29(38)39;1-3-15-6-5-7-16(4-2)23(15)29-24(19-14-26-12-11-21(19)28-29)18-8-9-20(25)22-17(18)10-13-27-22;1-3-2-8-6(7)9-4(3)5(10)11;/h6-11,13,15,32H,4-5,12,14,16H2,1-3H3,(H,38,39);5-10,13,26-27H,3-4,11-12,14H2,1-2H3;2H,1H3,(H,10,11);1H.

What are the key properties of 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride?

2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride has a molecular weight of 1155.03 g/mol, XLogP of 13.16, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-methylpyrimidine-4-carboxylic acid;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloro-5-methylpyrimidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 158178415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).