2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one

C101H116N20O4 — CID 158742019

About 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one

2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 158742019) has the molecular formula C101H116N20O4 and a molecular weight of 1674.17 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 158742019
• Molecular Formula: C101H116N20O4
• Molecular Weight: 1674.17 g/mol
• Exact Mass: 1672.95
• IUPAC Name: 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
• SMILES: CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)CC1CCCCC1.CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.Cn1cc(-c2ccc3c(ccn3CC3CCN(C(=O)CCc4ccccc4)CC3)n2)cn1
• InChI: InChI=1S/2C26H29N5O.C25H33N5O.C24H25N5O/c1-26(2)14-20(18-31(26)25(32)11-8-19-6-4-3-5-7-19)17-30-13-12-23-24(30)10-9-22(29-23)21-15-27-28-16-21;1-29-19-22(17-27-29)23-8-9-25-24(28-23)13-16-31(25)18-21-11-14-30(15-12-21)26(32)10-7-20-5-3-2-4-6-20;1-25(2)13-19(17-30(25)24(31)12-18-6-4-3-5-7-18)16-29-11-10-22-23(29)9-8-21(28-22)20-14-26-27-15-20;1-24(2)12-17(16-29(24)23(30)18-6-4-3-5-7-18)15-28-11-10-21-22(28)9-8-20(27-21)19-13-25-26-14-19/h3-7,9-10,12-13,15-16,20H,8,11,14,17-18H2,1-2H3,(H,27,28);2-6,8-9,13,16-17,19,21H,7,10-12,14-15,18H2,1H3;8-11,14-15,18-19H,3-7,12-13,16-17H2,1-2H3,(H,26,27);3-11,13-14,17H,12,15-16H2,1-2H3,(H,25,26)
• InChIKey: IMKJWRAMKHOSRE-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 256.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1674.17
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?

The IUPAC name of 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 158742019) is 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.

What is the SMILES notation for 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?

The canonical SMILES for 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)CC1CCCCC1.CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.Cn1cc(-c2ccc3c(ccn3CC3CCN(C(=O)CCc4ccccc4)CC3)n2)cn1.

What is the InChIKey of 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?

The InChIKey is IMKJWRAMKHOSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H29N5O.C25H33N5O.C24H25N5O/c1-26(2)14-20(18-31(26)25(32)11-8-19-6-4-3-5-7-19)17-30-13-12-23-24(30)10-9-22(29-23)21-15-27-28-16-21;1-29-19-22(17-27-29)23-8-9-25-24(28-23)13-16-31(25)18-21-11-14-30(15-12-21)26(32)10-7-20-5-3-2-4-6-20;1-25(2)13-19(17-30(25)24(31)12-18-6-4-3-5-7-18)16-29-11-10-22-23(29)9-8-21(28-22)20-14-26-27-15-20;1-24(2)12-17(16-29(24)23(30)18-6-4-3-5-7-18)15-28-11-10-21-22(28)9-8-20(27-21)19-13-25-26-14-19/h3-7,9-10,12-13,15-16,20H,8,11,14,17-18H2,1-2H3,(H,27,28);2-6,8-9,13,16-17,19,21H,7,10-12,14-15,18H2,1H3;8-11,14-15,18-19H,3-7,12-13,16-17H2,1-2H3,(H,26,27);3-11,13-14,17H,12,15-16H2,1-2H3,(H,25,26).

What are the key properties of 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?

2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 1674.17 g/mol, XLogP of 18.39, 21 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 158742019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).