3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C25H23N7O — CID 135250093

IUPAC3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCn1cc(C#Cc2cnc3cccc(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)n23)cn1
InChIInChI=1S/C25H23N7O/c1-29-17-18(15-27-29)9-10-20-16-26-23-7-4-8-24(32(20)23)30-13-11-19(12-14-30)31-22-6-3-2-5-21(22)28-25(31)33/h2-8,15-17,19H,11-14H2,1H3,(H,28,33)
InChIKeyYRBCNNUQXQGWML-UHFFFAOYSA-N
MW437.51 g/mol
LogP2.95
Rot. Bonds2

About 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 135250093) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID135250093
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCn1cc(C#Cc2cnc3cccc(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)n23)cn1
InChIInChI=1S/C25H23N7O/c1-29-17-18(15-27-29)9-10-20-16-26-23-7-4-8-24(32(20)23)30-13-11-19(12-14-30)31-22-6-3-2-5-21(22)28-25(31)33/h2-8,15-17,19H,11-14H2,1H3,(H,28,33)
InChIKeyYRBCNNUQXQGWML-UHFFFAOYSA-N
XLogP2.95
TPSA76.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone
CID 135249413
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[5-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735766
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122047626
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 55476310
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 47092482
3-[1-(8-ethyl-9-methylpurin-6-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 66806622
9-methyl-6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]purine-8-carboxylic acid
CID 66799955
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 135250093) is 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one is Cn1cc(C#Cc2cnc3cccc(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)n23)cn1.
What is the InChIKey of 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is YRBCNNUQXQGWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-29-17-18(15-27-29)9-10-20-16-26-23-7-4-8-24(32(20)23)30-13-11-19(12-14-30)31-22-6-3-2-5-21(22)28-25(31)33/h2-8,15-17,19H,11-14H2,1H3,(H,28,33).
What are the key properties of 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 437.51 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 135250093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).