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

C22H17ClF3N5O2 — CID 91388358

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone
SMILESCc1[nH]ncc1C1=CCNC(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C22H17ClF3N5O2/c1-11-15(8-28-30-11)12-2-4-27-17(7-12)19(32)18-20(23)31-9-14(13-3-5-33-10-13)6-16(21(31)29-18)22(24,25)26/h2-3,5-6,8-10,17,27H,4,7H2,1H3,(H,28,30)
InChIKeyOMSQSDKBVWXYRS-UHFFFAOYSA-N
MW475.86 g/mol
LogP4.93
Rot. Bonds4

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

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone (PubChem CID 91388358) has the molecular formula C22H17ClF3N5O2 and a molecular weight of 475.86 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone
PubChem CID91388358
Molecular FormulaC22H17ClF3N5O2
Molecular Weight475.86 g/mol
Exact Mass475.10
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone
SMILESCc1[nH]ncc1C1=CCNC(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C22H17ClF3N5O2/c1-11-15(8-28-30-11)12-2-4-27-17(7-12)19(32)18-20(23)31-9-14(13-3-5-33-10-13)6-16(21(31)29-18)22(24,25)26/h2-3,5-6,8-10,17,27H,4,7H2,1H3,(H,28,30)
InChIKeyOMSQSDKBVWXYRS-UHFFFAOYSA-N
XLogP4.93
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.86
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone with MolForge

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Related Compounds

N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226136
3-(1-{[3-Chloro-6-(3-furanyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-4-piperidinyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 46870628
1-[1-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 46870989
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
CID 51357006
(3-Chloro-6-furan-3-yl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-[3-(2-fluoro-phenyl)-pyrrolidin-1-yl]-methanone
CID 57774684
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 57774909
US9815842, Example 63
CID 118540312
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045056
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one
CID 51357005
US11091495, Example 18
CID 156050979
5-(2-furyl)-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2872433

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone (CID 91388358) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone is Cc1[nH]ncc1C1=CCNC(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone?
The InChIKey is OMSQSDKBVWXYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O2/c1-11-15(8-28-30-11)12-2-4-27-17(7-12)19(32)18-20(23)31-9-14(13-3-5-33-10-13)6-16(21(31)29-18)22(24,25)26/h2-3,5-6,8-10,17,27H,4,7H2,1H3,(H,28,30).
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone has a molecular weight of 475.86 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-2-yl]methanone is sourced from PubChem (CID 91388358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).