[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone

C22H14ClF4N5O — CID 46864547

IUPAC[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2ccccc2F)C1
InChIInChI=1S/C22H14ClF4N5O/c23-19-18(21(33)31-6-5-12(10-31)15-3-1-2-4-17(15)24)30-20-16(22(25,26)27)7-13(11-32(19)20)14-8-28-29-9-14/h1-5,7-9,11H,6,10H2,(H,28,29)
InChIKeyKDXFMWUQCCMKEF-UHFFFAOYSA-N
MW475.83 g/mol
LogP5.08
Rot. Bonds3

About [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone

[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 46864547) has the molecular formula C22H14ClF4N5O and a molecular weight of 475.83 g/mol. Its IUPAC name is [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID46864547
Molecular FormulaC22H14ClF4N5O
Molecular Weight475.83 g/mol
Exact Mass475.08
IUPAC Name[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2ccccc2F)C1
InChIInChI=1S/C22H14ClF4N5O/c23-19-18(21(33)31-6-5-12(10-31)15-3-1-2-4-17(15)24)30-20-16(22(25,26)27)7-13(11-32(19)20)14-8-28-29-9-14/h1-5,7-9,11H,6,10H2,(H,28,29)
InChIKeyKDXFMWUQCCMKEF-UHFFFAOYSA-N
XLogP5.08
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.83
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone (CID 46864547) is [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2ccccc2F)C1.
What is the InChIKey of [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is KDXFMWUQCCMKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF4N5O/c23-19-18(21(33)31-6-5-12(10-31)15-3-1-2-4-17(15)24)30-20-16(22(25,26)27)7-13(11-32(19)20)14-8-28-29-9-14/h1-5,7-9,11H,6,10H2,(H,28,29).
What are the key properties of [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone?
[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 475.83 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 46864547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).