N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide

C30H29FN4O2 — CID 166965402

IUPACN-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide
SMILESC/C=C(/C)c1ccccc1CCNC(=O)c1cc(C2CC2)c2nc(-c3ccc(C(N)=O)cc3F)cn2c1
InChIInChI=1S/C30H29FN4O2/c1-3-18(2)23-7-5-4-6-19(23)12-13-33-30(37)22-14-25(20-8-9-20)29-34-27(17-35(29)16-22)24-11-10-21(28(32)36)15-26(24)31/h3-7,10-11,14-17,20H,8-9,12-13H2,1-2H3,(H2,32,36)(H,33,37)/b18-3-
InChIKeyKIMDAZLTOMJXCL-ZUWFHJRGSA-N
MW496.59 g/mol
LogP5.51
Rot. Bonds8

About N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide

N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 166965402) has the molecular formula C30H29FN4O2 and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID166965402
Molecular FormulaC30H29FN4O2
Molecular Weight496.59 g/mol
Exact Mass496.23
IUPAC NameN-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide
SMILESC/C=C(/C)c1ccccc1CCNC(=O)c1cc(C2CC2)c2nc(-c3ccc(C(N)=O)cc3F)cn2c1
InChIInChI=1S/C30H29FN4O2/c1-3-18(2)23-7-5-4-6-19(23)12-13-33-30(37)22-14-25(20-8-9-20)29-34-27(17-35(29)16-22)24-11-10-21(28(32)36)15-26(24)31/h3-7,10-11,14-17,20H,8-9,12-13H2,1-2H3,(H2,32,36)(H,33,37)/b18-3-
InChIKeyKIMDAZLTOMJXCL-ZUWFHJRGSA-N
XLogP5.51
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide (CID 166965402) is N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide is C/C=C(/C)c1ccccc1CCNC(=O)c1cc(C2CC2)c2nc(-c3ccc(C(N)=O)cc3F)cn2c1.
What is the InChIKey of N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is KIMDAZLTOMJXCL-ZUWFHJRGSA-N. The full InChI is InChI=1S/C30H29FN4O2/c1-3-18(2)23-7-5-4-6-19(23)12-13-33-30(37)22-14-25(20-8-9-20)29-34-27(17-35(29)16-22)24-11-10-21(28(32)36)15-26(24)31/h3-7,10-11,14-17,20H,8-9,12-13H2,1-2H3,(H2,32,36)(H,33,37)/b18-3-.
What are the key properties of N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide?
N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(Z)-but-2-en-2-yl]phenyl]ethyl]-2-(4-carbamoyl-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 166965402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).