4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one

C21H31N5O2 — CID 58083248

IUPAC4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCCCCCc1cc2c([nH]c(=O)n2CC2CCN(C(=O)C3CC3)CC2)c(N)n1
InChIInChI=1S/C21H31N5O2/c1-2-3-4-5-16-12-17-18(19(22)23-16)24-21(28)26(17)13-14-8-10-25(11-9-14)20(27)15-6-7-15/h12,14-15H,2-11,13H2,1H3,(H2,22,23)(H,24,28)
InChIKeyLVCVZXBWFSDMLZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.69
Rot. Bonds7

About 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 58083248) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID58083248
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCCCCCc1cc2c([nH]c(=O)n2CC2CCN(C(=O)C3CC3)CC2)c(N)n1
InChIInChI=1S/C21H31N5O2/c1-2-3-4-5-16-12-17-18(19(22)23-16)24-21(28)26(17)13-14-8-10-25(11-9-14)20(27)15-6-7-15/h12,14-15H,2-11,13H2,1H3,(H2,22,23)(H,24,28)
InChIKeyLVCVZXBWFSDMLZ-UHFFFAOYSA-N
XLogP2.69
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-amino-2-butoxy-9-(piperidin-4-ylmethyl)-7H-purin-8-one;hydrochloride
CID 67607123
5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid
CID 165067401
1-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 59382500
6-amino-9-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one
CID 146188153
1-[(4-methylcyclohexyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541480
6-amino-9-[[1-[3-[benzyl(methyl)amino]propyl]piperidin-4-yl]methyl]-2-butoxy-7H-purin-8-one
CID 59288027
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017
6,7-diethoxy-3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
CID 22588222
5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
CID 82470977
2-amino-4-hexyl-1H-pyrimidin-6-one
CID 156874763
[4-[7-amino-4-butyl-3-(oxan-4-ylmethyl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-11-yl]piperidin-1-yl]-[4-(2-aminoethoxymethyl)cyclohexyl]methanone
CID 168966193
4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 172832405

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one (CID 58083248) is 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one is CCCCCc1cc2c([nH]c(=O)n2CC2CCN(C(=O)C3CC3)CC2)c(N)n1.
What is the InChIKey of 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is LVCVZXBWFSDMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-2-3-4-5-16-12-17-18(19(22)23-16)24-21(28)26(17)13-14-8-10-25(11-9-14)20(27)15-6-7-15/h12,14-15H,2-11,13H2,1H3,(H2,22,23)(H,24,28).
What are the key properties of 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 385.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 58083248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).