(3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride

C32H38ClN7O3 — CID 175106933

About (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride (PubChem CID 175106933) has the molecular formula C32H38ClN7O3 and a molecular weight of 604.16 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride
• PubChem CID: 175106933
• Molecular Formula: C32H38ClN7O3
• Molecular Weight: 604.16 g/mol
• Exact Mass: 603.27
• IUPAC Name: (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride
• SMILES: COc1ccc(Cn2ncc3cc(-c4nc5cc(C(=O)N6CCCC(N)C6)cc(OC)c5n4C)n(CC4CC4)c32)cc1.Cl
• InChI: InChI=1S/C32H37N7O3.ClH/c1-36-29-26(13-22(15-28(29)42-3)32(40)37-12-4-5-24(33)19-37)35-30(36)27-14-23-16-34-39(31(23)38(27)17-20-6-7-20)18-21-8-10-25(41-2)11-9-21;/h8-11,13-16,20,24H,4-7,12,17-19,33H2,1-3H3;1H
• InChIKey: VKRQVBUIMQIJIZ-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 105.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.16
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride?

The IUPAC name of (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride (CID 175106933) is (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride.

What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride?

The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride is COc1ccc(Cn2ncc3cc(-c4nc5cc(C(=O)N6CCCC(N)C6)cc(OC)c5n4C)n(CC4CC4)c32)cc1.Cl.

What is the InChIKey of (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride?

The InChIKey is VKRQVBUIMQIJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O3.ClH/c1-36-29-26(13-22(15-28(29)42-3)32(40)37-12-4-5-24(33)19-37)35-30(36)27-14-23-16-34-39(31(23)38(27)17-20-6-7-20)18-21-8-10-25(41-2)11-9-21;/h8-11,13-16,20,24H,4-7,12,17-19,33H2,1-3H3;1H.

What are the key properties of (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride?

(3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride has a molecular weight of 604.16 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 175106933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).