4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine

C22H30ClN7O — CID 147043237

IUPAC4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine
SMILESCC1C(Cl)=CC=C(N)C1CCN(C)Cc1nnc(C2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C22H30ClN7O/c1-15-17(19(24)5-4-18(15)23)8-11-29(2)14-20-27-28-21(31-20)16-6-12-30(13-7-16)22-25-9-3-10-26-22/h3-5,9-10,15-17H,6-8,11-14,24H2,1-2H3
InChIKeyAZWCPEQIWZNPBR-UHFFFAOYSA-N
MW443.98 g/mol
LogP3.30
Rot. Bonds7

About 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine

4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine (PubChem CID 147043237) has the molecular formula C22H30ClN7O and a molecular weight of 443.98 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine
PubChem CID147043237
Molecular FormulaC22H30ClN7O
Molecular Weight443.98 g/mol
Exact Mass443.22
IUPAC Name4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine
SMILESCC1C(Cl)=CC=C(N)C1CCN(C)Cc1nnc(C2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C22H30ClN7O/c1-15-17(19(24)5-4-18(15)23)8-11-29(2)14-20-27-28-21(31-20)16-6-12-30(13-7-16)22-25-9-3-10-26-22/h3-5,9-10,15-17H,6-8,11-14,24H2,1-2H3
InChIKeyAZWCPEQIWZNPBR-UHFFFAOYSA-N
XLogP3.30
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine 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

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(oxan-2-yl)ethanamine
CID 134710802
(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97485750
2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole
CID 72861198
[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 71778174
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol
CID 111488398
2-[(4-fluorophenoxy)methyl]-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole
CID 75615927
2-[(4-fluorophenoxy)methyl]-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137939
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine
CID 95900500
2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
CID 22017589
2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole
CID 75615908
(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95582684

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine (CID 147043237) is 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine is CC1C(Cl)=CC=C(N)C1CCN(C)Cc1nnc(C2CCN(c3ncccn3)CC2)o1.
What is the InChIKey of 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is AZWCPEQIWZNPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN7O/c1-15-17(19(24)5-4-18(15)23)8-11-29(2)14-20-27-28-21(31-20)16-6-12-30(13-7-16)22-25-9-3-10-26-22/h3-5,9-10,15-17H,6-8,11-14,24H2,1-2H3.
What are the key properties of 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine?
4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 443.98 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-[2-[methyl-[[5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 147043237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).