3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile

C21H14ClF2N5O2S — CID 59443934

IUPAC3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccoc2)cc(C(F)F)c2nc(C(=O)N3CCC(c4nccs4)C3)c(Cl)n12
InChIInChI=1S/C21H14ClF2N5O2S/c22-17-16(21(30)28-4-1-11(9-28)20-26-3-6-32-20)27-19-14(18(23)24)7-13(12-2-5-31-10-12)15(8-25)29(17)19/h2-3,5-7,10-11,18H,1,4,9H2
InChIKeyRNXGOACUUAQYHN-UHFFFAOYSA-N
MW473.89 g/mol
LogP5.14
Rot. Bonds4

About 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile

3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile (PubChem CID 59443934) has the molecular formula C21H14ClF2N5O2S and a molecular weight of 473.89 g/mol. Its IUPAC name is 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile
PubChem CID59443934
Molecular FormulaC21H14ClF2N5O2S
Molecular Weight473.89 g/mol
Exact Mass473.05
IUPAC Name3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccoc2)cc(C(F)F)c2nc(C(=O)N3CCC(c4nccs4)C3)c(Cl)n12
InChIInChI=1S/C21H14ClF2N5O2S/c22-17-16(21(30)28-4-1-11(9-28)20-26-3-6-32-20)27-19-14(18(23)24)7-13(12-2-5-31-10-12)15(8-25)29(17)19/h2-3,5-7,10-11,18H,1,4,9H2
InChIKeyRNXGOACUUAQYHN-UHFFFAOYSA-N
XLogP5.14
TPSA87.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.89
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile?
The IUPAC name of 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile (CID 59443934) is 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile.
What is the SMILES notation for 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile?
The canonical SMILES for 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile is N#Cc1c(-c2ccoc2)cc(C(F)F)c2nc(C(=O)N3CCC(c4nccs4)C3)c(Cl)n12.
What is the InChIKey of 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile?
The InChIKey is RNXGOACUUAQYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N5O2S/c22-17-16(21(30)28-4-1-11(9-28)20-26-3-6-32-20)27-19-14(18(23)24)7-13(12-2-5-31-10-12)15(8-25)29(17)19/h2-3,5-7,10-11,18H,1,4,9H2.
What are the key properties of 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile?
3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile has a molecular weight of 473.89 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-(difluoromethyl)-6-(furan-3-yl)-2-[3-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-5-carbonitrile is sourced from PubChem (CID 59443934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).