1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine

C25H31ClN6O2 — CID 91569438

IUPAC1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(N)c3ncc(-c4cccnc4)cn3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C25H31ClN6O2/c1-3-33-22-12-18(13-23(24(22)26)34-4-2)17-31-10-7-21(8-11-31)32(27)25-29-15-20(16-30-25)19-6-5-9-28-14-19/h5-6,9,12-16,21H,3-4,7-8,10-11,17,27H2,1-2H3
InChIKeyNZOBTRXESFBVJZ-UHFFFAOYSA-N
MW483.02 g/mol
LogP4.33
Rot. Bonds9

About 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine

1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine (PubChem CID 91569438) has the molecular formula C25H31ClN6O2 and a molecular weight of 483.02 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
PubChem CID91569438
Molecular FormulaC25H31ClN6O2
Molecular Weight483.02 g/mol
Exact Mass482.22
IUPAC Name1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(N)c3ncc(-c4cccnc4)cn3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C25H31ClN6O2/c1-3-33-22-12-18(13-23(24(22)26)34-4-2)17-31-10-7-21(8-11-31)32(27)25-29-15-20(16-30-25)19-6-5-9-28-14-19/h5-6,9,12-16,21H,3-4,7-8,10-11,17,27H2,1-2H3
InChIKeyNZOBTRXESFBVJZ-UHFFFAOYSA-N
XLogP4.33
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.02
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine 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

1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
CID 68967573
1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-1,2-bis(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
CID 90739560
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
CID 24826627
1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine
CID 68969744
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylpyrimidin-2-amine
CID 24872409
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine
CID 68872871
N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
CID 24826467
3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol
CID 67401138
2-chloro-N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-5-fluoropyrimidin-4-amine
CID 24851796
2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881578
1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine
CID 69151641

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine?
The IUPAC name of 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine (CID 91569438) is 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine.
What is the SMILES notation for 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine?
The canonical SMILES for 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine is CCOc1cc(CN2CCC(N(N)c3ncc(-c4cccnc4)cn3)CC2)cc(OCC)c1Cl.
What is the InChIKey of 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine?
The InChIKey is NZOBTRXESFBVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O2/c1-3-33-22-12-18(13-23(24(22)26)34-4-2)17-31-10-7-21(8-11-31)32(27)25-29-15-20(16-30-25)19-6-5-9-28-14-19/h5-6,9,12-16,21H,3-4,7-8,10-11,17,27H2,1-2H3.
What are the key properties of 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine?
1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine has a molecular weight of 483.02 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 91569438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).