6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

C22H23ClF2N4O2 — CID 90136010

IUPAC6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC1CCCCN1
InChIInChI=1S/C22H23ClF2N4O2/c1-13-20(22(30)27-10-15-5-2-3-8-26-15)29-11-14(23)9-19(21(29)28-13)31-12-16-17(24)6-4-7-18(16)25/h4,6-7,9,11,15,26H,2-3,5,8,10,12H2,1H3,(H,27,30)
InChIKeyFGIILAXKRANLGX-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.03
Rot. Bonds6

About 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90136010) has the molecular formula C22H23ClF2N4O2 and a molecular weight of 448.90 g/mol. Its IUPAC name is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90136010
Molecular FormulaC22H23ClF2N4O2
Molecular Weight448.90 g/mol
Exact Mass448.15
IUPAC Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC1CCCCN1
InChIInChI=1S/C22H23ClF2N4O2/c1-13-20(22(30)27-10-15-5-2-3-8-26-15)29-11-14(23)9-19(21(29)28-13)31-12-16-17(24)6-4-7-18(16)25/h4,6-7,9,11,15,26H,2-3,5,8,10,12H2,1H3,(H,27,30)
InChIKeyFGIILAXKRANLGX-UHFFFAOYSA-N
XLogP4.03
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Telacebec
CID 68234908
5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 18923711
5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride
CID 45265075
6-chloro-N-[[4-[4-(4-chlorophenoxy)-1-piperidyl]phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 67401709
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234745
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
N-{(2R)-3-[4-(3,4-Dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl}-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59296114
Aminoimidazo[1,2-a]pyridine deriv. 23
CID 5330641
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935300
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466897
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53467345

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90136010) is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC1CCCCN1.
What is the InChIKey of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FGIILAXKRANLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N4O2/c1-13-20(22(30)27-10-15-5-2-3-8-26-15)29-11-14(23)9-19(21(29)28-13)31-12-16-17(24)6-4-7-18(16)25/h4,6-7,9,11,15,26H,2-3,5,8,10,12H2,1H3,(H,27,30).
What are the key properties of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 448.90 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90136010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).