N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine

C21H27N5 — CID 71929197

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCc1nn(Cc2ccccc2)c(C)c1CNCC1CCCn2ccnc21
InChIInChI=1S/C21H27N5/c1-16-20(17(2)26(24-16)15-18-7-4-3-5-8-18)14-22-13-19-9-6-11-25-12-10-23-21(19)25/h3-5,7-8,10,12,19,22H,6,9,11,13-15H2,1-2H3
InChIKeyHHZHNMIEPOIWIK-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.41
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (PubChem CID 71929197) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
PubChem CID71929197
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCc1nn(Cc2ccccc2)c(C)c1CNCC1CCCn2ccnc21
InChIInChI=1S/C21H27N5/c1-16-20(17(2)26(24-16)15-18-7-4-3-5-8-18)14-22-13-19-9-6-11-25-12-10-23-21(19)25/h3-5,7-8,10,12,19,22H,6,9,11,13-15H2,1-2H3
InChIKeyHHZHNMIEPOIWIK-UHFFFAOYSA-N
XLogP3.41
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine 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-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929168
N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97073207
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97080020
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97019097
N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929231
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile
CID 97002158
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144686
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 36923501
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine
CID 167859568

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (CID 71929197) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is Cc1nn(Cc2ccccc2)c(C)c1CNCC1CCCn2ccnc21.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The InChIKey is HHZHNMIEPOIWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-16-20(17(2)26(24-16)15-18-7-4-3-5-8-18)14-22-13-19-9-6-11-25-12-10-23-21(19)25/h3-5,7-8,10,12,19,22H,6,9,11,13-15H2,1-2H3.
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine has a molecular weight of 349.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is sourced from PubChem (CID 71929197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).