[1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone

C27H30ClN5O — CID 91800600

IUPAC[1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCN(Cc1cccnc1)Cc1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)nc1
InChIInChI=1S/C27H30ClN5O/c1-31(19-21-3-2-12-29-17-21)20-22-4-9-25(30-18-22)32-13-15-33(16-14-32)26(34)27(10-11-27)23-5-7-24(28)8-6-23/h2-9,12,17-18H,10-11,13-16,19-20H2,1H3
InChIKeyZHSWAHMYNFUYLP-UHFFFAOYSA-N
MW476.02 g/mol
LogP4.14
Rot. Bonds7

About [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone

[1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 91800600) has the molecular formula C27H30ClN5O and a molecular weight of 476.02 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID91800600
Molecular FormulaC27H30ClN5O
Molecular Weight476.02 g/mol
Exact Mass475.21
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCN(Cc1cccnc1)Cc1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)nc1
InChIInChI=1S/C27H30ClN5O/c1-31(19-21-3-2-12-29-17-21)20-22-4-9-25(30-18-22)32-13-15-33(16-14-32)26(34)27(10-11-27)23-5-7-24(28)8-6-23/h2-9,12,17-18H,10-11,13-16,19-20H2,1H3
InChIKeyZHSWAHMYNFUYLP-UHFFFAOYSA-N
XLogP4.14
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470746
1-(4-{5-[6-Amino-5-(4-chlorophenyl)pyrimidin-4-ylethynyl]pyridin-2-yl}piperazin-1-yl)ethanone
CID 44423528
1-(5-(4-Chlorophenyl)-6-(2-chloropyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576685
(3-Chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 932464
N-benzyl-2-(2-chloro-6-fluorophenyl)-N-2-pyridinylacetamide
CID 1241672
(4-Chlorophenyl)-[4-(2-pyridinyl)-1-piperazinyl]methanone
CID 870371
1-{4-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13771024
4,4-Dimethyl-1-{4-[4-(3-phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-piperidine-2,6-dione
CID 14183683
[4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]methanone
CID 15950992
[4-(4-Chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15951123

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone (CID 91800600) is [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone is CN(Cc1cccnc1)Cc1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)nc1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is ZHSWAHMYNFUYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O/c1-31(19-21-3-2-12-29-17-21)20-22-4-9-25(30-18-22)32-13-15-33(16-14-32)26(34)27(10-11-27)23-5-7-24(28)8-6-23/h2-9,12,17-18H,10-11,13-16,19-20H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 476.02 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-[4-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 91800600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).