3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone

C16H23N5O — CID 136566482

IUPAC3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C)CCN1C(=O)c1cncc2[nH]cnc12
InChIInChI=1S/C16H23N5O/c1-11(2)6-12-9-20(3)4-5-21(12)16(22)13-7-17-8-14-15(13)19-10-18-14/h7-8,10-12H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyUFWMCDQFPNAFNC-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.76
Rot. Bonds3

About 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone

3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 136566482) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID136566482
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C)CCN1C(=O)c1cncc2[nH]cnc12
InChIInChI=1S/C16H23N5O/c1-11(2)6-12-9-20(3)4-5-21(12)16(22)13-7-17-8-14-15(13)19-10-18-14/h7-8,10-12H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyUFWMCDQFPNAFNC-UHFFFAOYSA-N
XLogP1.76
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone
CID 166114835
1-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one
CID 164632117
2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone
CID 136566481
[2-(aminomethyl)-4-methylpiperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737872
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 80504889
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345098
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 80504806
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427532
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 80504286
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dimethylphenyl)methanone
CID 80504854
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 80504849
4-[6-(2-fluoropyridine-3-carbonyl)pyrazin-2-yl]-2-(2-methylpropyl)piperazine-1-carboxylic acid
CID 67175651

Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone (CID 136566482) is 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CC1CN(C)CCN1C(=O)c1cncc2[nH]cnc12.
What is the InChIKey of 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is UFWMCDQFPNAFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11(2)6-12-9-20(3)4-5-21(12)16(22)13-7-17-8-14-15(13)19-10-18-14/h7-8,10-12H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 136566482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).