N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine

C25H29N7O — CID 45166053

IUPACN-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
SMILESCc1cc2nc(N3CCC(NC(C)c4nc(-c5ccccn5)no4)CC3)nc(C)c2cc1C
InChIInChI=1S/C25H29N7O/c1-15-13-20-17(3)28-25(29-22(20)14-16(15)2)32-11-8-19(9-12-32)27-18(4)24-30-23(31-33-24)21-7-5-6-10-26-21/h5-7,10,13-14,18-19,27H,8-9,11-12H2,1-4H3
InChIKeyYTLSHGNGHIGPGE-UHFFFAOYSA-N
MW443.56 g/mol
LogP4.32
Rot. Bonds5

About N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine

N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine (PubChem CID 45166053) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
PubChem CID45166053
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC NameN-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
SMILESCc1cc2nc(N3CCC(NC(C)c4nc(-c5ccccn5)no4)CC3)nc(C)c2cc1C
InChIInChI=1S/C25H29N7O/c1-15-13-20-17(3)28-25(29-22(20)14-16(15)2)32-11-8-19(9-12-32)27-18(4)24-30-23(31-33-24)21-7-5-6-10-26-21/h5-7,10,13-14,18-19,27H,8-9,11-12H2,1-4H3
InChIKeyYTLSHGNGHIGPGE-UHFFFAOYSA-N
XLogP4.32
TPSA92.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
The IUPAC name of N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine (CID 45166053) is N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
The canonical SMILES for N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine is Cc1cc2nc(N3CCC(NC(C)c4nc(-c5ccccn5)no4)CC3)nc(C)c2cc1C.
What is the InChIKey of N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
The InChIKey is YTLSHGNGHIGPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-15-13-20-17(3)28-25(29-22(20)14-16(15)2)32-11-8-19(9-12-32)27-18(4)24-30-23(31-33-24)21-7-5-6-10-26-21/h5-7,10,13-14,18-19,27H,8-9,11-12H2,1-4H3.
What are the key properties of N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine has a molecular weight of 443.56 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine is sourced from PubChem (CID 45166053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).