N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide

C27H24N4O2 — CID 164611004

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1
InChIInChI=1S/C27H24N4O2/c1-18(2)33-23-9-5-19(6-10-23)15-30-27(32)25-16-29-26-12-8-22(17-31(25)26)20-7-11-24-21(14-20)4-3-13-28-24/h3-14,16-18H,15H2,1-2H3,(H,30,32)
InChIKeyREXBIBNFTLMSLV-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.27
Rot. Bonds6

About N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 164611004) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID164611004
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1
InChIInChI=1S/C27H24N4O2/c1-18(2)33-23-9-5-19(6-10-23)15-30-27(32)25-16-29-26-12-8-22(17-31(25)26)20-7-11-24-21(14-20)4-3-13-28-24/h3-14,16-18H,15H2,1-2H3,(H,30,32)
InChIKeyREXBIBNFTLMSLV-UHFFFAOYSA-N
XLogP5.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 164611004) is N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is REXBIBNFTLMSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-18(2)33-23-9-5-19(6-10-23)15-30-27(32)25-16-29-26-12-8-22(17-31(25)26)20-7-11-24-21(14-20)4-3-13-28-24/h3-14,16-18H,15H2,1-2H3,(H,30,32).
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 164611004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).