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

C16H25N5 — CID 71929168

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCCn1nc(C)c(CNCC2CCCn3ccnc32)c1C
InChIInChI=1S/C16H25N5/c1-4-21-13(3)15(12(2)19-21)11-17-10-14-6-5-8-20-9-7-18-16(14)20/h7,9,14,17H,4-6,8,10-11H2,1-3H3
InChIKeyLUCUTKUNVWHMRU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.38
Rot. Bonds5

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

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (PubChem CID 71929168) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
PubChem CID71929168
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCCn1nc(C)c(CNCC2CCCn3ccnc32)c1C
InChIInChI=1S/C16H25N5/c1-4-21-13(3)15(12(2)19-21)11-17-10-14-6-5-8-20-9-7-18-16(14)20/h7,9,14,17H,4-6,8,10-11H2,1-3H3
InChIKeyLUCUTKUNVWHMRU-UHFFFAOYSA-N
XLogP2.38
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-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-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (CID 71929168) is N-[(1-ethyl-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-ethyl-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-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is CCn1nc(C)c(CNCC2CCCn3ccnc32)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The InChIKey is LUCUTKUNVWHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-21-13(3)15(12(2)19-21)11-17-10-14-6-5-8-20-9-7-18-16(14)20/h7,9,14,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine has a molecular weight of 287.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is sourced from PubChem (CID 71929168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).