(3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

C12H18N4O — CID 79354184

IUPAC(3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESCC1CCN(C(=O)C2Cc3nc[nH]c3CN2)C1
InChIInChI=1S/C12H18N4O/c1-8-2-3-16(6-8)12(17)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,2-6H2,1H3,(H,14,15)
InChIKeyCNEWNMJSQNUGOW-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.29
Rot. Bonds1

About (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

(3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (PubChem CID 79354184) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
PubChem CID79354184
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESCC1CCN(C(=O)C2Cc3nc[nH]c3CN2)C1
InChIInChI=1S/C12H18N4O/c1-8-2-3-16(6-8)12(17)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,2-6H2,1H3,(H,14,15)
InChIKeyCNEWNMJSQNUGOW-UHFFFAOYSA-N
XLogP0.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79352607
1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 79354470
azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79354450
[2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 81202754
(3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219364
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 79352116
(4-methyl-1,4-diazepan-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79354236
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593081
(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219635
(3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219908
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79352883
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 82752465

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (CID 79354184) is (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is CC1CCN(C(=O)C2Cc3nc[nH]c3CN2)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The InChIKey is CNEWNMJSQNUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-2-3-16(6-8)12(17)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,2-6H2,1H3,(H,14,15).
What are the key properties of (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
(3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is sourced from PubChem (CID 79354184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).