[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone

C22H29ClN6O2 — CID 133294918

IUPAC[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOc1cc(C)nc(N2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)n1
InChIInChI=1S/C22H29ClN6O2/c1-3-31-19-13-16(2)25-22(26-19)29-11-9-27(10-12-29)20-18(23)14-17(15-24-20)21(30)28-7-5-4-6-8-28/h13-15H,3-12H2,1-2H3
InChIKeyVDFCVRHNRPIECT-UHFFFAOYSA-N
MW444.97 g/mol
LogP3.18
Rot. Bonds5

About [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133294918) has the molecular formula C22H29ClN6O2 and a molecular weight of 444.97 g/mol. Its IUPAC name is [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133294918
Molecular FormulaC22H29ClN6O2
Molecular Weight444.97 g/mol
Exact Mass444.20
IUPAC Name[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOc1cc(C)nc(N2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)n1
InChIInChI=1S/C22H29ClN6O2/c1-3-31-19-13-16(2)25-22(26-19)29-11-9-27(10-12-29)20-18(23)14-17(15-24-20)21(30)28-7-5-4-6-8-28/h13-15H,3-12H2,1-2H3
InChIKeyVDFCVRHNRPIECT-UHFFFAOYSA-N
XLogP3.18
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.97
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320691
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
[5-chloro-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133314369
1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone
CID 95922805
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 86905482
N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 133295403
[(1S)-cyclohex-3-en-1-yl]-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 95294197
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 56584912
1-[4-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 133285323
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 133379177

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133294918) is [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone is CCOc1cc(C)nc(N2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)n1.
What is the InChIKey of [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is VDFCVRHNRPIECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O2/c1-3-31-19-13-16(2)25-22(26-19)29-11-9-27(10-12-29)20-18(23)14-17(15-24-20)21(30)28-7-5-4-6-8-28/h13-15H,3-12H2,1-2H3.
What are the key properties of [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 444.97 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133294918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).