5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

C24H23ClFN7O — CID 164921330

IUPAC5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(O[C@H](C)c3ccc(F)cc3Cl)n3c(C#N)cnc3c2)nnn1C1CCNCC1
InChIInChI=1S/C24H23ClFN7O/c1-14-24(30-31-33(14)18-5-7-28-8-6-18)16-9-22-29-13-19(12-27)32(22)23(10-16)34-15(2)20-4-3-17(26)11-21(20)25/h3-4,9-11,13,15,18,28H,5-8H2,1-2H3/t15-/m1/s1
InChIKeyTWNRBXPOCQQXQC-OAHLLOKOSA-N
MW479.95 g/mol
LogP4.63
Rot. Bonds5

About 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 164921330) has the molecular formula C24H23ClFN7O and a molecular weight of 479.95 g/mol. Its IUPAC name is 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID164921330
Molecular FormulaC24H23ClFN7O
Molecular Weight479.95 g/mol
Exact Mass479.16
IUPAC Name5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(O[C@H](C)c3ccc(F)cc3Cl)n3c(C#N)cnc3c2)nnn1C1CCNCC1
InChIInChI=1S/C24H23ClFN7O/c1-14-24(30-31-33(14)18-5-7-28-8-6-18)16-9-22-29-13-19(12-27)32(22)23(10-16)34-15(2)20-4-3-17(26)11-21(20)25/h3-4,9-11,13,15,18,28H,5-8H2,1-2H3/t15-/m1/s1
InChIKeyTWNRBXPOCQQXQC-OAHLLOKOSA-N
XLogP4.63
TPSA93.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 164921330) is 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is Cc1c(-c2cc(O[C@H](C)c3ccc(F)cc3Cl)n3c(C#N)cnc3c2)nnn1C1CCNCC1.
What is the InChIKey of 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is TWNRBXPOCQQXQC-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23ClFN7O/c1-14-24(30-31-33(14)18-5-7-28-8-6-18)16-9-22-29-13-19(12-27)32(22)23(10-16)34-15(2)20-4-3-17(26)11-21(20)25/h3-4,9-11,13,15,18,28H,5-8H2,1-2H3/t15-/m1/s1.
What are the key properties of 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 479.95 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2-chloro-4-fluorophenyl)ethoxy]-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164921330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).