6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H25ClFN5O — CID 134575606

IUPAC6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2nc(N3CCC(F)CC3)ccc2c1
InChIInChI=1S/C25H25ClFN5O/c1-2-20-24(32-15-18(26)5-8-23(32)29-20)25(33)28-14-16-3-6-21-17(13-16)4-7-22(30-21)31-11-9-19(27)10-12-31/h3-8,13,15,19H,2,9-12,14H2,1H3,(H,28,33)
InChIKeyUNEIGTCLVVDOCE-UHFFFAOYSA-N
MW465.96 g/mol
LogP4.97
Rot. Bonds5

About 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134575606) has the molecular formula C25H25ClFN5O and a molecular weight of 465.96 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID134575606
Molecular FormulaC25H25ClFN5O
Molecular Weight465.96 g/mol
Exact Mass465.17
IUPAC Name6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2nc(N3CCC(F)CC3)ccc2c1
InChIInChI=1S/C25H25ClFN5O/c1-2-20-24(32-15-18(26)5-8-23(32)29-20)25(33)28-14-16-3-6-21-17(13-16)4-7-22(30-21)31-11-9-19(27)10-12-31/h3-8,13,15,19H,2,9-12,14H2,1H3,(H,28,33)
InChIKeyUNEIGTCLVVDOCE-UHFFFAOYSA-N
XLogP4.97
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134575606) is 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2nc(N3CCC(F)CC3)ccc2c1.
What is the InChIKey of 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UNEIGTCLVVDOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O/c1-2-20-24(32-15-18(26)5-8-23(32)29-20)25(33)28-14-16-3-6-21-17(13-16)4-7-22(30-21)31-11-9-19(27)10-12-31/h3-8,13,15,19H,2,9-12,14H2,1H3,(H,28,33).
What are the key properties of 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 465.96 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[[2-(4-fluoropiperidin-1-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134575606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).