6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one

C14H20N4O — CID 67767820

IUPAC6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one
SMILESC=CCc1c(N)[nH]c(=O)c2ncn(CCCCC)c12
InChIInChI=1S/C14H20N4O/c1-3-5-6-8-18-9-16-11-12(18)10(7-4-2)13(15)17-14(11)19/h4,9H,2-3,5-8H2,1H3,(H3,15,17,19)
InChIKeyHDMWXRZRELWRKV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.23
Rot. Bonds6

About 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one

6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 67767820) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID67767820
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one
SMILESC=CCc1c(N)[nH]c(=O)c2ncn(CCCCC)c12
InChIInChI=1S/C14H20N4O/c1-3-5-6-8-18-9-16-11-12(18)10(7-4-2)13(15)17-14(11)19/h4,9H,2-3,5-8H2,1H3,(H3,15,17,19)
InChIKeyHDMWXRZRELWRKV-UHFFFAOYSA-N
XLogP2.23
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one
CID 10083918
7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one
CID 145329620
7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione
CID 165172414
6-Amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 10241618
6-Amino-7-nonyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 10446168
6-amino-1-ethyl-5H-imidazo[4,5-c]pyridin-4-one
CID 18683078
6-Amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride
CID 21852242
6-Amino-7-nonyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride
CID 21852243
7-Methyl-3H-imidazo[4,5-c]pyridin-4(5H)-one
CID 55286042
6-Amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 67614112
3,6,7-trimethyl-2-propyl-5H-imidazo[4,5-c]pyridin-4-one
CID 89659136
3,5,7-Trimethyl-2-propylimidazo[4,5-c]pyridin-4-one
CID 89659137

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one (CID 67767820) is 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one is C=CCc1c(N)[nH]c(=O)c2ncn(CCCCC)c12.
What is the InChIKey of 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is HDMWXRZRELWRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-5-6-8-18-9-16-11-12(18)10(7-4-2)13(15)17-14(11)19/h4,9H,2-3,5-8H2,1H3,(H3,15,17,19).
What are the key properties of 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one?
6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 67767820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).