3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide

C20H17ClN4O2 — CID 92511044

IUPAC3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H17ClN4O2/c21-19-16(25-11-2-1-6-17(25)24-19)9-10-18(26)22-15-5-3-4-13(12-15)20(27)23-14-7-8-14/h1-6,9-12,14H,7-8H2,(H,22,26)(H,23,27)/b10-9+
InChIKeyRFAPPGZODWTQJX-MDZDMXLPSA-N
MW380.84 g/mol
LogP3.53
Rot. Bonds5

About 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide

3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide (PubChem CID 92511044) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
PubChem CID92511044
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H17ClN4O2/c21-19-16(25-11-2-1-6-17(25)24-19)9-10-18(26)22-15-5-3-4-13(12-15)20(27)23-14-7-8-14/h1-6,9-12,14H,7-8H2,(H,22,26)(H,23,27)/b10-9+
InChIKeyRFAPPGZODWTQJX-MDZDMXLPSA-N
XLogP3.53
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
CID 84985160
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide
CID 26264961
N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 9247195
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 26908510
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-quinolin-8-ylprop-2-enamide
CID 75618039
3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-5-fluoro-4-methylbenzamide
CID 75526011
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 26590143
2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]benzamide
CID 75620305
1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 75532233
N-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enyl]cyclopropanamine
CID 79347604
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111331161
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 8951364

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide (CID 92511044) is 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide is O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide?
The InChIKey is RFAPPGZODWTQJX-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-19-16(25-11-2-1-6-17(25)24-19)9-10-18(26)22-15-5-3-4-13(12-15)20(27)23-14-7-8-14/h1-6,9-12,14H,7-8H2,(H,22,26)(H,23,27)/b10-9+.
What are the key properties of 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide?
3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide has a molecular weight of 380.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 92511044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).