N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide

C17H25N5O — CID 166299989

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCCn3c(C)cnc32)n1
InChIInChI=1S/C17H25N5O/c1-12-10-13(2)22(20-12)9-5-7-18-17(23)15-6-4-8-21-14(3)11-19-16(15)21/h10-11,15H,4-9H2,1-3H3,(H,18,23)
InChIKeyHHXHHSQKYKERMR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.09
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 166299989) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID166299989
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCCn3c(C)cnc32)n1
InChIInChI=1S/C17H25N5O/c1-12-10-13(2)22(20-12)9-5-7-18-17(23)15-6-4-8-21-14(3)11-19-16(15)21/h10-11,15H,4-9H2,1-3H3,(H,18,23)
InChIKeyHHXHHSQKYKERMR-UHFFFAOYSA-N
XLogP2.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28882866
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737973
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-2-carboxamide
CID 114536594
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
cis-(1R,2S)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124574731
(1S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 94182966
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737976
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86999451
3-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 4771349

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide (CID 166299989) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide is Cc1cc(C)n(CCCNC(=O)C2CCCn3c(C)cnc32)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is HHXHHSQKYKERMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-10-13(2)22(20-12)9-5-7-18-17(23)15-6-4-8-21-14(3)11-19-16(15)21/h10-11,15H,4-9H2,1-3H3,(H,18,23).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 166299989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).