N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide

C29H24N4O3 — CID 134513466

IUPACN-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide
SMILESCc1cc2c(c3c(C)cccc13)CCN2C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1
InChIInChI=1S/C29H24N4O3/c1-17-4-3-5-22-18(2)14-25-23(27(17)22)12-13-33(25)29(36)24-16-32-15-20(8-11-26(32)31-24)30-28(35)19-6-9-21(34)10-7-19/h3-11,14-16,34H,12-13H2,1-2H3,(H,30,35)
InChIKeyODSFIVOJCWMYGU-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.27
Rot. Bonds3

About N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide

N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide (PubChem CID 134513466) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide
PubChem CID134513466
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC NameN-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide
SMILESCc1cc2c(c3c(C)cccc13)CCN2C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1
InChIInChI=1S/C29H24N4O3/c1-17-4-3-5-22-18(2)14-25-23(27(17)22)12-13-33(25)29(36)24-16-32-15-20(8-11-26(32)31-24)30-28(35)19-6-9-21(34)10-7-19/h3-11,14-16,34H,12-13H2,1-2H3,(H,30,35)
InChIKeyODSFIVOJCWMYGU-UHFFFAOYSA-N
XLogP5.27
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide?
The IUPAC name of N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide (CID 134513466) is N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide is Cc1cc2c(c3c(C)cccc13)CCN2C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1.
What is the InChIKey of N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide?
The InChIKey is ODSFIVOJCWMYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-17-4-3-5-22-18(2)14-25-23(27(17)22)12-13-33(25)29(36)24-16-32-15-20(8-11-26(32)31-24)30-28(35)19-6-9-21(34)10-7-19/h3-11,14-16,34H,12-13H2,1-2H3,(H,30,35).
What are the key properties of N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide?
N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide has a molecular weight of 476.54 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,9-dimethyl-1,2-dihydrobenzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide is sourced from PubChem (CID 134513466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).