[4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone

C28H23N5O2 — CID 137408377

IUPAC[4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESCn1cnc2ccc(C#Cc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)cc5)cn34)cc21
InChIInChI=1S/C28H23N5O2/c1-31-19-30-25-10-3-20(16-26(25)31)2-9-24-17-29-27-11-8-23(18-33(24)27)21-4-6-22(7-5-21)28(34)32-12-14-35-15-13-32/h3-8,10-11,16-19H,12-15H2,1H3
InChIKeyYKZXJYOCUWFKJI-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.76
Rot. Bonds2

About [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone

[4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 137408377) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID137408377
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name[4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESCn1cnc2ccc(C#Cc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)cc5)cn34)cc21
InChIInChI=1S/C28H23N5O2/c1-31-19-30-25-10-3-20(16-26(25)31)2-9-24-17-29-27-11-8-23(18-33(24)27)21-4-6-22(7-5-21)28(34)32-12-14-35-15-13-32/h3-8,10-11,16-19H,12-15H2,1H3
InChIKeyYKZXJYOCUWFKJI-UHFFFAOYSA-N
XLogP3.76
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-[2-[4-(methylamino)phenyl]ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 167112800
morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000489
piperazin-1-yl-[4-[3-[2-[2-(pyridin-3-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
CID 118000376
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
morpholin-4-yl-[4-[3-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000324
[4-[3-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 130331463
[4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone
CID 167112801
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
1,4-diazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469134
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide
CID 136519385

Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 137408377) is [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is Cn1cnc2ccc(C#Cc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)cc5)cn34)cc21.
What is the InChIKey of [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is YKZXJYOCUWFKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-31-19-30-25-10-3-20(16-26(25)31)2-9-24-17-29-27-11-8-23(18-33(24)27)21-4-6-22(7-5-21)28(34)32-12-14-35-15-13-32/h3-8,10-11,16-19H,12-15H2,1H3.
What are the key properties of [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 461.53 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137408377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).