2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide

C32H26FN5O2 — CID 18993210

IUPAC2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C32H26FN5O2/c1-20-36-28-16-35-14-13-29(28)38(20)17-21-3-5-23(6-4-21)32(40)27-18-37(19-31(39)34-2)30-15-24(9-12-26(27)30)22-7-10-25(33)11-8-22/h3-16,18H,17,19H2,1-2H3,(H,34,39)
InChIKeyBMRCSCKNVHIPQJ-UHFFFAOYSA-N
MW531.59 g/mol
LogP5.53
Rot. Bonds7

About 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide

2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide (PubChem CID 18993210) has the molecular formula C32H26FN5O2 and a molecular weight of 531.59 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide
PubChem CID18993210
Molecular FormulaC32H26FN5O2
Molecular Weight531.59 g/mol
Exact Mass531.21
IUPAC Name2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C32H26FN5O2/c1-20-36-28-16-35-14-13-29(28)38(20)17-21-3-5-23(6-4-21)32(40)27-18-37(19-31(39)34-2)30-15-24(9-12-26(27)30)22-7-10-25(33)11-8-22/h3-16,18H,17,19H2,1-2H3,(H,34,39)
InChIKeyBMRCSCKNVHIPQJ-UHFFFAOYSA-N
XLogP5.53
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.59
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide (CID 18993210) is 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2ccc(-c3ccc(F)cc3)cc21.
What is the InChIKey of 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide?
The InChIKey is BMRCSCKNVHIPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN5O2/c1-20-36-28-16-35-14-13-29(28)38(20)17-21-3-5-23(6-4-21)32(40)27-18-37(19-31(39)34-2)30-15-24(9-12-26(27)30)22-7-10-25(33)11-8-22/h3-16,18H,17,19H2,1-2H3,(H,34,39).
What are the key properties of 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide?
2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide has a molecular weight of 531.59 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indol-1-yl]-N-methylacetamide is sourced from PubChem (CID 18993210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).