N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine

C31H36N10O — CID 164608966

IUPACN-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4cnn(CCN(C)C)c4)n3c2)o1
InChIInChI=1S/C31H36N10O/c1-20-14-24(29-21(2)36-39(7)22(29)3)9-10-26(20)30-34-35-31(42-30)38(6)17-23-8-11-28-32-16-27(41(28)18-23)25-15-33-40(19-25)13-12-37(4)5/h8-11,14-16,18-19H,12-13,17H2,1-7H3
InChIKeyOMAJOUIXIRWQLC-UHFFFAOYSA-N
MW564.70 g/mol
LogP4.77
Rot. Bonds9

About N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine

N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 164608966) has the molecular formula C31H36N10O and a molecular weight of 564.70 g/mol. Its IUPAC name is N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID164608966
Molecular FormulaC31H36N10O
Molecular Weight564.70 g/mol
Exact Mass564.31
IUPAC NameN-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4cnn(CCN(C)C)c4)n3c2)o1
InChIInChI=1S/C31H36N10O/c1-20-14-24(29-21(2)36-39(7)22(29)3)9-10-26(20)30-34-35-31(42-30)38(6)17-23-8-11-28-32-16-27(41(28)18-23)25-15-33-40(19-25)13-12-37(4)5/h8-11,14-16,18-19H,12-13,17H2,1-7H3
InChIKeyOMAJOUIXIRWQLC-UHFFFAOYSA-N
XLogP4.77
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.70
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-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-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine (CID 164608966) is N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine is Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4cnn(CCN(C)C)c4)n3c2)o1.
What is the InChIKey of N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OMAJOUIXIRWQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N10O/c1-20-14-24(29-21(2)36-39(7)22(29)3)9-10-26(20)30-34-35-31(42-30)38(6)17-23-8-11-28-32-16-27(41(28)18-23)25-15-33-40(19-25)13-12-37(4)5/h8-11,14-16,18-19H,12-13,17H2,1-7H3.
What are the key properties of N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine?
N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 564.70 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164608966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).