formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone

C14H21N3O4 — CID 154909880

IUPACformic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone
SMILESCc1nc2c([nH]1)CN(C(=O)CC1CCOC1)CC2.O=CO
InChIInChI=1S/C13H19N3O2.CH2O2/c1-9-14-11-2-4-16(7-12(11)15-9)13(17)6-10-3-5-18-8-10;2-1-3/h10H,2-8H2,1H3,(H,14,15);1H,(H,2,3)
InChIKeyRNOWTXLTDHXOIG-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.73
Rot. Bonds2

About formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone

formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone (PubChem CID 154909880) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Nameformic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone
PubChem CID154909880
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameformic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone
SMILESCc1nc2c([nH]1)CN(C(=O)CC1CCOC1)CC2.O=CO
InChIInChI=1S/C13H19N3O2.CH2O2/c1-9-14-11-2-4-16(7-12(11)15-9)13(17)6-10-3-5-18-8-10;2-1-3/h10H,2-8H2,1H3,(H,14,15);1H,(H,2,3)
InChIKeyRNOWTXLTDHXOIG-UHFFFAOYSA-N
XLogP0.73
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131920552
(2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 119064820
1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone
CID 119065386
3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 167881420
(5R)-5-[2-(2-methyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-7-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 137065795
1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone
CID 170507325
N-[2-(dimethylamino)propyl]-2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 122559105
1-methyl-8-[2-(oxolan-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131932524
formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 171709891
2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 176724619
2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135719567
(5S)-N,2-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129393812

Frequently Asked Questions

What is the IUPAC name of formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone?
The IUPAC name of formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone (CID 154909880) is formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone?
The canonical SMILES for formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone is Cc1nc2c([nH]1)CN(C(=O)CC1CCOC1)CC2.O=CO.
What is the InChIKey of formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone?
The InChIKey is RNOWTXLTDHXOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.CH2O2/c1-9-14-11-2-4-16(7-12(11)15-9)13(17)6-10-3-5-18-8-10;2-1-3/h10H,2-8H2,1H3,(H,14,15);1H,(H,2,3).
What are the key properties of formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone?
formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone has a molecular weight of 295.34 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 154909880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).