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

C22H24ClN7O2 — CID 135869565

IUPAC4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
InChIInChI=1S/C22H24ClN7O2/c1-14-10-16(29-6-8-32-9-7-29)11-18-20(14)28-21(27-18)19-17(2-3-25-22(19)31)24-4-5-30-13-15(23)12-26-30/h2-3,10-13H,4-9H2,1H3,(H,27,28)(H2,24,25,31)
InChIKeyXPPPFLDICCXGSJ-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.03
Rot. Bonds6

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

4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135869565) has the molecular formula C22H24ClN7O2 and a molecular weight of 453.93 g/mol. Its IUPAC name is 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID135869565
Molecular FormulaC22H24ClN7O2
Molecular Weight453.93 g/mol
Exact Mass453.17
IUPAC Name4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
InChIInChI=1S/C22H24ClN7O2/c1-14-10-16(29-6-8-32-9-7-29)11-18-20(14)28-21(27-18)19-17(2-3-25-22(19)31)24-4-5-30-13-15(23)12-26-30/h2-3,10-13H,4-9H2,1H3,(H,27,28)(H2,24,25,31)
InChIKeyXPPPFLDICCXGSJ-UHFFFAOYSA-N
XLogP3.03
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

At-9283
CID 135398495
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
3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}-1-phenylurea
CID 135566360
4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one
CID 135875713
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
1-cyclohexyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}urea
CID 135909513
3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}-1-pyridin-3-ylurea
CID 135909514
3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}-1-oxan-4-ylurea
CID 135909515
6-(4-fluoro-6-morpholin-4-yl-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138661817
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-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-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135869565) is 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-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-morpholin-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-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1cc(N2CCOCC2)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-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is XPPPFLDICCXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O2/c1-14-10-16(29-6-8-32-9-7-29)11-18-20(14)28-21(27-18)19-17(2-3-25-22(19)31)24-4-5-30-13-15(23)12-26-30/h2-3,10-13H,4-9H2,1H3,(H,27,28)(H2,24,25,31).
What are the key properties of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 453.93 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135869565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).