6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide

C28H29N7O2 — CID 177353325

IUPAC6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESCc1nc(C(N)=O)ccc1C1=CCN(Cc2cc3c(-n4ccc5c(c4=O)CCN5)ccnc3n2C)CC1
InChIInChI=1S/C28H29N7O2/c1-17-20(3-4-24(32-17)26(29)36)18-7-12-34(13-8-18)16-19-15-22-25(6-11-31-27(22)33(19)2)35-14-9-23-21(28(35)37)5-10-30-23/h3-4,6-7,9,11,14-15,30H,5,8,10,12-13,16H2,1-2H3,(H2,29,36)
InChIKeyGNJRROPIBYNZGC-UHFFFAOYSA-N
MW495.59 g/mol
LogP2.78
Rot. Bonds5

About 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide

6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (PubChem CID 177353325) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
PubChem CID177353325
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESCc1nc(C(N)=O)ccc1C1=CCN(Cc2cc3c(-n4ccc5c(c4=O)CCN5)ccnc3n2C)CC1
InChIInChI=1S/C28H29N7O2/c1-17-20(3-4-24(32-17)26(29)36)18-7-12-34(13-8-18)16-19-15-22-25(6-11-31-27(22)33(19)2)35-14-9-23-21(28(35)37)5-10-30-23/h3-4,6-7,9,11,14-15,30H,5,8,10,12-13,16H2,1-2H3,(H2,29,36)
InChIKeyGNJRROPIBYNZGC-UHFFFAOYSA-N
XLogP2.78
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (CID 177353325) is 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is Cc1nc(C(N)=O)ccc1C1=CCN(Cc2cc3c(-n4ccc5c(c4=O)CCN5)ccnc3n2C)CC1.
What is the InChIKey of 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The InChIKey is GNJRROPIBYNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-17-20(3-4-24(32-17)26(29)36)18-7-12-34(13-8-18)16-19-15-22-25(6-11-31-27(22)33(19)2)35-14-9-23-21(28(35)37)5-10-30-23/h3-4,6-7,9,11,14-15,30H,5,8,10,12-13,16H2,1-2H3,(H2,29,36).
What are the key properties of 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 177353325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).