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

C99H103F3N20O4 — CID 159916697

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

2-(2-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[2-methyl-4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 159916697) has the molecular formula C99H103F3N20O4 and a molecular weight of 1694.04 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[2-methyl-4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[2-methyl-4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 159916697
• Molecular Formula: C99H103F3N20O4
• Molecular Weight: 1694.04 g/mol
• Exact Mass: 1692.84
• IUPAC Name: 2-(2-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[2-methyl-4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
• SMILES: CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccc(F)cc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1cccc(F)c1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1F.Cc1[nH]ncc1-c1ccc2c(ccn2CC2CCN(C(=O)CCc3ccccc3)C(C)C2)n1
• InChI: InChI=1S/C27H31N5O.3C24H24FN5O/c1-19-16-22(12-15-32(19)27(33)11-8-21-6-4-3-5-7-21)18-31-14-13-25-26(31)10-9-24(29-25)23-17-28-30-20(23)2;1-16-10-18(15-30(16)24(31)11-17-2-4-20(25)5-3-17)14-29-9-8-22-23(29)7-6-21(28-22)19-12-26-27-13-19;1-16-9-18(15-30(16)24(31)11-17-3-2-4-20(25)10-17)14-29-8-7-22-23(29)6-5-21(28-22)19-12-26-27-13-19;1-16-10-17(15-30(16)24(31)11-18-4-2-3-5-20(18)25)14-29-9-8-22-23(29)7-6-21(28-22)19-12-26-27-13-19/h3-7,9-10,13-14,17,19,22H,8,11-12,15-16,18H2,1-2H3,(H,28,30);2-9,12-13,16,18H,10-11,14-15H2,1H3,(H,26,27);2-8,10,12-13,16,18H,9,11,14-15H2,1H3,(H,26,27);2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,26,27)
• InChIKey: NXWIMTXAOZZQHP-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 267.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1694.04
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2-(2-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[2-methyl-4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 159916697) is 2-(2-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[2-methyl-4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.

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

The canonical SMILES for 2-(2-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[2-methyl-4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccc(F)cc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1cccc(F)c1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1F.Cc1[nH]ncc1-c1ccc2c(ccn2CC2CCN(C(=O)CCc3ccccc3)C(C)C2)n1.

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

The InChIKey is NXWIMTXAOZZQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O.3C24H24FN5O/c1-19-16-22(12-15-32(19)27(33)11-8-21-6-4-3-5-7-21)18-31-14-13-25-26(31)10-9-24(29-25)23-17-28-30-20(23)2;1-16-10-18(15-30(16)24(31)11-17-2-4-20(25)5-3-17)14-29-9-8-22-23(29)7-6-21(28-22)19-12-26-27-13-19;1-16-9-18(15-30(16)24(31)11-17-3-2-4-20(25)10-17)14-29-8-7-22-23(29)6-5-21(28-22)19-12-26-27-13-19;1-16-10-17(15-30(16)24(31)11-18-4-2-3-5-20(18)25)14-29-9-8-22-23(29)7-6-21(28-22)19-12-26-27-13-19/h3-7,9-10,13-14,17,19,22H,8,11-12,15-16,18H2,1-2H3,(H,28,30);2-9,12-13,16,18H,10-11,14-15H2,1H3,(H,26,27);2-8,10,12-13,16,18H,9,11,14-15H2,1H3,(H,26,27);2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,26,27).

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

2-(2-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[2-methyl-4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 1694.04 g/mol, XLogP of 17.13, 21 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[2-methyl-4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 159916697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).