4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide

C26H30N6O3 — CID 54435221

IUPAC4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide
SMILESCOc1cccc2c1c(C(=O)N1CCC(Cn3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C
InChIInChI=1S/C26H30N6O3/c1-17-28-20-14-27-11-8-21(20)31(17)15-18-9-12-30(13-10-18)25(33)19-16-32(26(34)29(2)3)22-6-5-7-23(35-4)24(19)22/h5-8,11,14,16,18H,9-10,12-13,15H2,1-4H3
InChIKeyWKGHZVCUFODFLI-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.79
Rot. Bonds4

About 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide

4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide (PubChem CID 54435221) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide
PubChem CID54435221
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide
SMILESCOc1cccc2c1c(C(=O)N1CCC(Cn3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C
InChIInChI=1S/C26H30N6O3/c1-17-28-20-14-27-11-8-21(20)31(17)15-18-9-12-30(13-10-18)25(33)19-16-32(26(34)29(2)3)22-6-5-7-23(35-4)24(19)22/h5-8,11,14,16,18H,9-10,12-13,15H2,1-4H3
InChIKeyWKGHZVCUFODFLI-UHFFFAOYSA-N
XLogP3.79
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide (CID 54435221) is 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide is COc1cccc2c1c(C(=O)N1CCC(Cn3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide?
The InChIKey is WKGHZVCUFODFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-17-28-20-14-27-11-8-21(20)31(17)15-18-9-12-30(13-10-18)25(33)19-16-32(26(34)29(2)3)22-6-5-7-23(35-4)24(19)22/h5-8,11,14,16,18H,9-10,12-13,15H2,1-4H3.
What are the key properties of 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide?
4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 54435221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).