2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium

C25H25ClN5O+ — CID 123652013

IUPAC2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium
SMILESC[N+]#Cc1cccnc1-c1ccc2nc(C3=CC=C(Cl)CC3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C25H25ClN5O/c1-27-15-19-3-2-10-28-24(19)20-6-9-23-29-25(18-4-7-21(26)8-5-18)22(31(23)16-20)17-30-11-13-32-14-12-30/h2-4,6-7,9-10,16H,5,8,11-14,17H2,1H3/q+1
InChIKeySBVDXKNSPMEANE-UHFFFAOYSA-N
MW446.96 g/mol
LogP4.84
Rot. Bonds4

About 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium

2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium (PubChem CID 123652013) has the molecular formula C25H25ClN5O+ and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium.

Molecular Properties

Compound Name2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium
PubChem CID123652013
Molecular FormulaC25H25ClN5O+
Molecular Weight446.96 g/mol
Exact Mass446.17
IUPAC Name2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium
SMILESC[N+]#Cc1cccnc1-c1ccc2nc(C3=CC=C(Cl)CC3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C25H25ClN5O/c1-27-15-19-3-2-10-28-24(19)20-6-9-23-29-25(18-4-7-21(26)8-5-18)22(31(23)16-20)17-30-11-13-32-14-12-30/h2-4,6-7,9-10,16H,5,8,11-14,17H2,1H3/q+1
InChIKeySBVDXKNSPMEANE-UHFFFAOYSA-N
XLogP4.84
TPSA47.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium with MolForge

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Related Compounds

4-[[2-(4-chlorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309794
4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 91635527
4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309712
4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309666
1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one
CID 157343544
2-methyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 82058473
4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]morpholine
CID 122183034
4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 146555454
2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
CID 121309767
2-(3,4-dichlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 110311535
2-[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 83289247
[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 121309825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium?
The IUPAC name of 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium (CID 123652013) is 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium.
What is the SMILES notation for 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium?
The canonical SMILES for 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium is C[N+]#Cc1cccnc1-c1ccc2nc(C3=CC=C(Cl)CC3)c(CN3CCOCC3)n2c1.
What is the InChIKey of 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium?
The InChIKey is SBVDXKNSPMEANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN5O/c1-27-15-19-3-2-10-28-24(19)20-6-9-23-29-25(18-4-7-21(26)8-5-18)22(31(23)16-20)17-30-11-13-32-14-12-30/h2-4,6-7,9-10,16H,5,8,11-14,17H2,1H3/q+1.
What are the key properties of 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium?
2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium has a molecular weight of 446.96 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylpyridine-3-carbonitrilium is sourced from PubChem (CID 123652013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).