1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one

C19H23ClN4O2 — CID 67508477

IUPAC1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one
SMILESCc1cnc(-c2cc(N3CCN(C(=O)CCO)CC3)ncc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN4O2/c1-13-9-14(2)19(22-11-13)15-10-17(21-12-16(15)20)23-4-6-24(7-5-23)18(26)3-8-25/h9-12,25H,3-8H2,1-2H3
InChIKeyRPPIVSYJMORRDX-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.44
Rot. Bonds4

About 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one

1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one (PubChem CID 67508477) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one
PubChem CID67508477
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one
SMILESCc1cnc(-c2cc(N3CCN(C(=O)CCO)CC3)ncc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN4O2/c1-13-9-14(2)19(22-11-13)15-10-17(21-12-16(15)20)23-4-6-24(7-5-23)18(26)3-8-25/h9-12,25H,3-8H2,1-2H3
InChIKeyRPPIVSYJMORRDX-UHFFFAOYSA-N
XLogP2.44
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
CID 67508530
1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine
CID 134426894
1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine
CID 134426993
[2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium
CID 163523529
2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine
CID 69044585
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90656292
(3E)-1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-3-hydrazinylidenepiperidin-4-one
CID 123136538
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanol;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethanol
CID 160846331
5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 144671237
1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
CID 67971928
ethyl N-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]carbamate
CID 77107010
1-[4-[5-chloro-4-(5-methyl-2,3-dihydropyridin-6-yl)-2-pyridinyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 134426947

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one (CID 67508477) is 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one is Cc1cnc(-c2cc(N3CCN(C(=O)CCO)CC3)ncc2Cl)c(C)c1.
What is the InChIKey of 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is RPPIVSYJMORRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-9-14(2)19(22-11-13)15-10-17(21-12-16(15)20)23-4-6-24(7-5-23)18(26)3-8-25/h9-12,25H,3-8H2,1-2H3.
What are the key properties of 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one?
1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 374.87 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 67508477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).