2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide

C29H25ClN6O2 — CID 91285548

IUPAC2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide
SMILESNC(=O)c1c2c(n(-c3ccccc3)c1Cl)CCN(C(=O)Nc1ccc3c(ccn3Cc3ccccn3)c1)C2
InChIInChI=1S/C29H25ClN6O2/c30-27-26(28(31)37)23-18-35(15-12-25(23)36(27)22-7-2-1-3-8-22)29(38)33-20-9-10-24-19(16-20)11-14-34(24)17-21-6-4-5-13-32-21/h1-11,13-14,16H,12,15,17-18H2,(H2,31,37)(H,33,38)
InChIKeyFCSVTKKSGFHHBE-UHFFFAOYSA-N
MW525.01 g/mol
LogP5.22
Rot. Bonds5

About 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide

2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide (PubChem CID 91285548) has the molecular formula C29H25ClN6O2 and a molecular weight of 525.01 g/mol. Its IUPAC name is 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide
PubChem CID91285548
Molecular FormulaC29H25ClN6O2
Molecular Weight525.01 g/mol
Exact Mass524.17
IUPAC Name2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide
SMILESNC(=O)c1c2c(n(-c3ccccc3)c1Cl)CCN(C(=O)Nc1ccc3c(ccn3Cc3ccccn3)c1)C2
InChIInChI=1S/C29H25ClN6O2/c30-27-26(28(31)37)23-18-35(15-12-25(23)36(27)22-7-2-1-3-8-22)29(38)33-20-9-10-24-19(16-20)11-14-34(24)17-21-6-4-5-13-32-21/h1-11,13-14,16H,12,15,17-18H2,(H2,31,37)(H,33,38)
InChIKeyFCSVTKKSGFHHBE-UHFFFAOYSA-N
XLogP5.22
TPSA98.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.01
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide (CID 91285548) is 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide is NC(=O)c1c2c(n(-c3ccccc3)c1Cl)CCN(C(=O)Nc1ccc3c(ccn3Cc3ccccn3)c1)C2.
What is the InChIKey of 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide?
The InChIKey is FCSVTKKSGFHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN6O2/c30-27-26(28(31)37)23-18-35(15-12-25(23)36(27)22-7-2-1-3-8-22)29(38)33-20-9-10-24-19(16-20)11-14-34(24)17-21-6-4-5-13-32-21/h1-11,13-14,16H,12,15,17-18H2,(H2,31,37)(H,33,38).
What are the key properties of 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide?
2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide has a molecular weight of 525.01 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-phenyl-5-N-[1-(pyridin-2-ylmethyl)indol-5-yl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 91285548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).