[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride

C75H80Cl5F2N17O4 — CID 158054165

About [2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride

[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride (PubChem CID 158054165) has the molecular formula C75H80Cl5F2N17O4 and a molecular weight of 1498.84 g/mol. Its IUPAC name is [2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride.

Molecular Properties

• Compound Name: [2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride
• PubChem CID: 158054165
• Molecular Formula: C75H80Cl5F2N17O4
• Molecular Weight: 1498.84 g/mol
• Exact Mass: 1495.50
• IUPAC Name: [2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride
• SMILES: C1CCNC1.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(C(=O)N3CCCC3)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CNCC2.Cl.O=C(O)c1cnc(Cl)nc1.O=C(c1cnc(Cl)nc1)N1CCCC1
• InChI: InChI=1S/C33H33ClFN7O.C24H24ClFN4.C9H10ClN3O.C5H3ClN2O2.C4H9N.ClH/c1-3-20-8-7-9-21(4-2)30(20)42-31(28-23-10-12-36-29(23)25(34)16-26(28)35)24-19-41(15-11-27(24)39-42)33-37-17-22(18-38-33)32(43)40-13-5-6-14-40;1-3-14-6-5-7-15(4-2)23(14)30-24(17-13-27-10-9-20(17)29-30)21-16-8-11-28-22(16)18(25)12-19(21)26;10-9-11-5-7(6-12-9)8(14)13-3-1-2-4-13;6-5-7-1-3(2-8-5)4(9)10;1-2-4-5-3-1;/h7-10,12,16-18,36H,3-6,11,13-15,19H2,1-2H3;5-8,11-12,27-28H,3-4,9-10,13H2,1-2H3;5-6H,1-4H2;1-2H,(H,9,10);5H,1-4H2;1H
• InChIKey: BKFPBXHSXWVHKI-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 249.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.84
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of [2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride (CID 158054165) is [2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride.

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

The canonical SMILES for [2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride is C1CCNC1.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(C(=O)N3CCCC3)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CNCC2.Cl.O=C(O)c1cnc(Cl)nc1.O=C(c1cnc(Cl)nc1)N1CCCC1.

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

The InChIKey is BKFPBXHSXWVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClFN7O.C24H24ClFN4.C9H10ClN3O.C5H3ClN2O2.C4H9N.ClH/c1-3-20-8-7-9-21(4-2)30(20)42-31(28-23-10-12-36-29(23)25(34)16-26(28)35)24-19-41(15-11-27(24)39-42)33-37-17-22(18-38-33)32(43)40-13-5-6-14-40;1-3-14-6-5-7-15(4-2)23(14)30-24(17-13-27-10-9-20(17)29-30)21-16-8-11-28-22(16)18(25)12-19(21)26;10-9-11-5-7(6-12-9)8(14)13-3-1-2-4-13;6-5-7-1-3(2-8-5)4(9)10;1-2-4-5-3-1;/h7-10,12,16-18,36H,3-6,11,13-15,19H2,1-2H3;5-8,11-12,27-28H,3-4,9-10,13H2,1-2H3;5-6H,1-4H2;1-2H,(H,9,10);5H,1-4H2;1H.

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

[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride has a molecular weight of 1498.84 g/mol, XLogP of 15.10, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride is sourced from PubChem (CID 158054165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).