4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide

C30H30N6O — CID 177354783

IUPAC4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2=CCN(Cc3cc4c(-c5ccc6[nH]ncc6c5)ccnc4n3C)CC2)cc1
InChIInChI=1S/C30H30N6O/c1-34(2)30(37)22-6-4-20(5-7-22)21-11-14-36(15-12-21)19-25-17-27-26(10-13-31-29(27)35(25)3)23-8-9-28-24(16-23)18-32-33-28/h4-11,13,16-18H,12,14-15,19H2,1-3H3,(H,32,33)
InChIKeyXMMXWRNIULSTPT-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.11
Rot. Bonds5

About 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide

4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide (PubChem CID 177354783) has the molecular formula C30H30N6O and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide
PubChem CID177354783
Molecular FormulaC30H30N6O
Molecular Weight490.61 g/mol
Exact Mass490.25
IUPAC Name4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2=CCN(Cc3cc4c(-c5ccc6[nH]ncc6c5)ccnc4n3C)CC2)cc1
InChIInChI=1S/C30H30N6O/c1-34(2)30(37)22-6-4-20(5-7-22)21-11-14-36(15-12-21)19-25-17-27-26(10-13-31-29(27)35(25)3)23-8-9-28-24(16-23)18-32-33-28/h4-11,13,16-18H,12,14-15,19H2,1-3H3,(H,32,33)
InChIKeyXMMXWRNIULSTPT-UHFFFAOYSA-N
XLogP5.11
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-[4-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperazin-1-yl]-N,N-dimethylbenzamide
CID 177355141
N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 177353596
N,N,3,5-tetramethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353546
4-(1H-indazol-5-yl)-1-methyl-2-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrrolo[2,3-b]pyridine
CID 177354705
4-[1-[1-[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353626
N,N,3-trimethyl-4-[1-[[1-methyl-4-[methyl(propyl)boranyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177356436
4-[1-[[4-(6-amino-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide
CID 177353610
N,N-dimethyl-6-[1-[[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 177301235
N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353877
N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353565
N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-1-oxidopyridin-1-ium-2-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353521
2-[1-[(4-bromo-1-methylpyrrolo[2,3-b]pyridin-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-bis(trideuteriomethyl)pyrimidine-5-carboxamide
CID 177301228

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide (CID 177354783) is 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(C2=CCN(Cc3cc4c(-c5ccc6[nH]ncc6c5)ccnc4n3C)CC2)cc1.
What is the InChIKey of 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is XMMXWRNIULSTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O/c1-34(2)30(37)22-6-4-20(5-7-22)21-11-14-36(15-12-21)19-25-17-27-26(10-13-31-29(27)35(25)3)23-8-9-28-24(16-23)18-32-33-28/h4-11,13,16-18H,12,14-15,19H2,1-3H3,(H,32,33).
What are the key properties of 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide?
4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 490.61 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 177354783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).