4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one

C24H28ClN7O — CID 135875713

IUPAC4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1cc(C2CCN(C)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
InChIInChI=1S/C24H28ClN7O/c1-15-11-17(16-4-8-31(2)9-5-16)12-20-22(15)30-23(29-20)21-19(3-6-27-24(21)33)26-7-10-32-14-18(25)13-28-32/h3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,29,30)(H2,26,27,33)
InChIKeyQOTMLIIRYJJNCS-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.00
Rot. Bonds6

About 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one

4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 135875713) has the molecular formula C24H28ClN7O and a molecular weight of 465.99 g/mol. Its IUPAC name is 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID135875713
Molecular FormulaC24H28ClN7O
Molecular Weight465.99 g/mol
Exact Mass465.20
IUPAC Name4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1cc(C2CCN(C)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
InChIInChI=1S/C24H28ClN7O/c1-15-11-17(16-4-8-31(2)9-5-16)12-20-22(15)30-23(29-20)21-19(3-6-27-24(21)33)26-7-10-32-14-18(25)13-28-32/h3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,29,30)(H2,26,27,33)
InChIKeyQOTMLIIRYJJNCS-UHFFFAOYSA-N
XLogP4.00
TPSA94.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Lorecivivint
CID 135565709
Bms-695735
CID 135441202
3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
CID 145714274
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11393909
4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one
CID 135875714
4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one
CID 135875715
2-methyl-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138661878
2-methyl-6-(6-methyl-5-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1S)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138662420
(2S)-6-methyl-N-[(1S)-1-[5-(2-methylindazol-5-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 168298475
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24818949

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (CID 135875713) is 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is Cc1cc(C2CCN(C)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.
What is the InChIKey of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is QOTMLIIRYJJNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7O/c1-15-11-17(16-4-8-31(2)9-5-16)12-20-22(15)30-23(29-20)21-19(3-6-27-24(21)33)26-7-10-32-14-18(25)13-28-32/h3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,29,30)(H2,26,27,33).
What are the key properties of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 465.99 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 135875713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).