1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

C70H56N20O3 — CID 157314430

IUPAC1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCc1ccc(-c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)cn1.Cn1nccc1-c1ccnc2c1ccn2CC(=O)Cc1ccc(-c2cnccn2)cn1.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(-c3cnc[nH]3)ccnc21
InChIInChI=1S/C25H20N6O.C23H19N7O.C22H17N7O/c1-17-2-3-18(13-29-17)22-6-8-28-25-23(22)7-11-31(25)16-21(32)12-20-5-4-19(14-30-20)24-15-26-9-10-27-24;1-29-22(5-8-28-29)19-4-7-26-23-20(19)6-11-30(23)15-18(31)12-17-3-2-16(13-27-17)21-14-24-9-10-25-21;30-17(9-16-2-1-15(10-27-16)20-11-23-6-7-25-20)13-29-8-4-19-18(3-5-26-22(19)29)21-12-24-14-28-21/h2-11,13-15H,12,16H2,1H3;2-11,13-14H,12,15H2,1H3;1-8,10-12,14H,9,13H2,(H,24,28)
InChIKeyBDKQNGSGQIAXTF-UHFFFAOYSA-N
MW1225.35 g/mol
LogP10.26
Rot. Bonds18

About 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (PubChem CID 157314430) has the molecular formula C70H56N20O3 and a molecular weight of 1225.35 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
PubChem CID157314430
Molecular FormulaC70H56N20O3
Molecular Weight1225.35 g/mol
Exact Mass1224.48
IUPAC Name1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCc1ccc(-c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)cn1.Cn1nccc1-c1ccnc2c1ccn2CC(=O)Cc1ccc(-c2cnccn2)cn1.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(-c3cnc[nH]3)ccnc21
InChIInChI=1S/C25H20N6O.C23H19N7O.C22H17N7O/c1-17-2-3-18(13-29-17)22-6-8-28-25-23(22)7-11-31(25)16-21(32)12-20-5-4-19(14-30-20)24-15-26-9-10-27-24;1-29-22(5-8-28-29)19-4-7-26-23-20(19)6-11-30(23)15-18(31)12-17-3-2-16(13-27-17)21-14-24-9-10-25-21;30-17(9-16-2-1-15(10-27-16)20-11-23-6-7-25-20)13-29-8-4-19-18(3-5-26-22(19)29)21-12-24-14-28-21/h2-11,13-15H,12,16H2,1H3;2-11,13-14H,12,15H2,1H3;1-8,10-12,14H,9,13H2,(H,24,28)
InChIKeyBDKQNGSGQIAXTF-UHFFFAOYSA-N
XLogP10.26
TPSA280.07 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.35
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137041591
US10730877, Example 763
CID 138686401
US10730877, Example 767
CID 138722015
US10730877, Example 776
CID 138725606
US10730877, Example 775
CID 147689106
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136631207
N-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137102080
N-[5-[5-fluoro-8-[4-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-2-methyl-4-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydro-1,7-naphthyridin-6-yl]-3-pyridinyl]benzamide
CID 145033903
3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 145034066
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145034165
3-[4-[(1E)-1-(4,4-difluoropiperidin-1-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 145034971
2-[5-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane
CID 145035331

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (CID 157314430) is 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is Cc1ccc(-c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)cn1.Cn1nccc1-c1ccnc2c1ccn2CC(=O)Cc1ccc(-c2cnccn2)cn1.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(-c3cnc[nH]3)ccnc21.
What is the InChIKey of 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The InChIKey is BDKQNGSGQIAXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O.C23H19N7O.C22H17N7O/c1-17-2-3-18(13-29-17)22-6-8-28-25-23(22)7-11-31(25)16-21(32)12-20-5-4-19(14-30-20)24-15-26-9-10-27-24;1-29-22(5-8-28-29)19-4-7-26-23-20(19)6-11-30(23)15-18(31)12-17-3-2-16(13-27-17)21-14-24-9-10-25-21;30-17(9-16-2-1-15(10-27-16)20-11-23-6-7-25-20)13-29-8-4-19-18(3-5-26-22(19)29)21-12-24-14-28-21/h2-11,13-15H,12,16H2,1H3;2-11,13-14H,12,15H2,1H3;1-8,10-12,14H,9,13H2,(H,24,28).
What are the key properties of 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one has a molecular weight of 1225.35 g/mol, XLogP of 10.26, 18 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 157314430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).