N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

C27H26N4O5 — CID 46948179

IUPACN-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1ccc(-c2cnc3c(NC=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1OC
InChIInChI=1S/C27H26N4O5/c1-34-24-8-7-20(14-25(24)35-2)23-15-28-26-22(29-17-32)13-21(16-31(23)26)18-3-5-19(6-4-18)27(33)30-9-11-36-12-10-30/h3-8,13-17H,9-12H2,1-2H3,(H,29,32)
InChIKeyPQUYGUPOAQQGJP-UHFFFAOYSA-N
MW486.53 g/mol
LogP3.73
Rot. Bonds7

About N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46948179) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46948179
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1ccc(-c2cnc3c(NC=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1OC
InChIInChI=1S/C27H26N4O5/c1-34-24-8-7-20(14-25(24)35-2)23-15-28-26-22(29-17-32)13-21(16-31(23)26)18-3-5-19(6-4-18)27(33)30-9-11-36-12-10-30/h3-8,13-17H,9-12H2,1-2H3,(H,29,32)
InChIKeyPQUYGUPOAQQGJP-UHFFFAOYSA-N
XLogP3.73
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 6419753
4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
Bay 61-3606
CID 10200390
Tasurgratinib
CID 78323434
4-[(3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzoyl)amino]benzoic Acid
CID 44189262
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CID 91663352
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90367910
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
N-(3-{Imidazo[1,2-A]pyrimidin-2-YL}phenyl)-3,4,5-trimethoxybenzamide
CID 5304380

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide (CID 46948179) is N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide is COc1ccc(-c2cnc3c(NC=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is PQUYGUPOAQQGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-34-24-8-7-20(14-25(24)35-2)23-15-28-26-22(29-17-32)13-21(16-31(23)26)18-3-5-19(6-4-18)27(33)30-9-11-36-12-10-30/h3-8,13-17H,9-12H2,1-2H3,(H,29,32).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 486.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46948179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).