6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide

C30H30FN5O2 — CID 70110388

IUPAC6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide
SMILESCc1nc2ccncc2n1CCCCCC(=O)c1c(C(=O)N(C)C)[nH]c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C30H30FN5O2/c1-19-33-24-14-15-32-18-26(24)36(19)16-6-4-5-7-27(37)28-23-13-10-21(20-8-11-22(31)12-9-20)17-25(23)34-29(28)30(38)35(2)3/h8-15,17-18,34H,4-7,16H2,1-3H3
InChIKeyDGWQJJMGMZUBCT-UHFFFAOYSA-N
MW511.60 g/mol
LogP6.17
Rot. Bonds9

About 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide

6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide (PubChem CID 70110388) has the molecular formula C30H30FN5O2 and a molecular weight of 511.60 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide
PubChem CID70110388
Molecular FormulaC30H30FN5O2
Molecular Weight511.60 g/mol
Exact Mass511.24
IUPAC Name6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide
SMILESCc1nc2ccncc2n1CCCCCC(=O)c1c(C(=O)N(C)C)[nH]c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C30H30FN5O2/c1-19-33-24-14-15-32-18-26(24)36(19)16-6-4-5-7-27(37)28-23-13-10-21(20-8-11-22(31)12-9-20)17-25(23)34-29(28)30(38)35(2)3/h8-15,17-18,34H,4-7,16H2,1-3H3
InChIKeyDGWQJJMGMZUBCT-UHFFFAOYSA-N
XLogP6.17
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide (CID 70110388) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide is Cc1nc2ccncc2n1CCCCCC(=O)c1c(C(=O)N(C)C)[nH]c2cc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide?
The InChIKey is DGWQJJMGMZUBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O2/c1-19-33-24-14-15-32-18-26(24)36(19)16-6-4-5-7-27(37)28-23-13-10-21(20-8-11-22(31)12-9-20)17-25(23)34-29(28)30(38)35(2)3/h8-15,17-18,34H,4-7,16H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide?
6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide has a molecular weight of 511.60 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70110388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).