[4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C15H15N7O — CID 72893876

IUPAC[4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1nnc(-c2ccc(C(=O)N3CCc4nc[nH]c4C3)cc2)n1
InChIInChI=1S/C15H15N7O/c1-21-19-14(18-20-21)10-2-4-11(5-3-10)15(23)22-7-6-12-13(8-22)17-9-16-12/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyGWORFWCQDNREDG-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.80
Rot. Bonds2

About [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 72893876) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID72893876
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name[4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1nnc(-c2ccc(C(=O)N3CCc4nc[nH]c4C3)cc2)n1
InChIInChI=1S/C15H15N7O/c1-21-19-14(18-20-21)10-2-4-11(5-3-10)15(23)22-7-6-12-13(8-22)17-9-16-12/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyGWORFWCQDNREDG-UHFFFAOYSA-N
XLogP0.80
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 139019991
(5-methyl-1,3,4-oxadiazol-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169166195
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 50971840
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
[4-(2-methyltetrazol-5-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169419500
(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135089318
2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 53145210
(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 72893876) is [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cn1nnc(-c2ccc(C(=O)N3CCc4nc[nH]c4C3)cc2)n1.
What is the InChIKey of [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is GWORFWCQDNREDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-21-19-14(18-20-21)10-2-4-11(5-3-10)15(23)22-7-6-12-13(8-22)17-9-16-12/h2-5,9H,6-8H2,1H3,(H,16,17).
What are the key properties of [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 309.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72893876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).