ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride

C33H42ClN7O7 — CID 157188994

IUPACethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride
SMILESC1CCOC1.CC.CO.CON(C)C(=O)c1ccc2cncn2c1.Cl.O=C(O)c1ccc2cncn2c1.O=Cc1ccc2cncn2c1
InChIInChI=1S/C10H11N3O2.C8H6N2O2.C8H6N2O.C4H8O.C2H6.CH4O.ClH/c1-12(15-2)10(14)8-3-4-9-5-11-7-13(9)6-8;11-8(12)6-1-2-7-3-9-5-10(7)4-6;11-5-7-1-2-8-3-9-6-10(8)4-7;1-2-4-5-3-1;2*1-2;/h3-7H,1-2H3;1-5H,(H,11,12);1-6H;1-4H2;1-2H3;2H,1H3;1H
InChIKeyNUWRHJLBJVTROR-UHFFFAOYSA-N
MW684.19 g/mol
LogP5.00
Rot. Bonds4

About ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride

ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride (PubChem CID 157188994) has the molecular formula C33H42ClN7O7 and a molecular weight of 684.19 g/mol. Its IUPAC name is ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride.

Molecular Properties

Compound Nameethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride
PubChem CID157188994
Molecular FormulaC33H42ClN7O7
Molecular Weight684.19 g/mol
Exact Mass683.28
IUPAC Nameethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride
SMILESC1CCOC1.CC.CO.CON(C)C(=O)c1ccc2cncn2c1.Cl.O=C(O)c1ccc2cncn2c1.O=Cc1ccc2cncn2c1
InChIInChI=1S/C10H11N3O2.C8H6N2O2.C8H6N2O.C4H8O.C2H6.CH4O.ClH/c1-12(15-2)10(14)8-3-4-9-5-11-7-13(9)6-8;11-8(12)6-1-2-7-3-9-5-10(7)4-6;11-5-7-1-2-8-3-9-6-10(8)4-7;1-2-4-5-3-1;2*1-2;/h3-7H,1-2H3;1-5H,(H,11,12);1-6H;1-4H2;1-2H3;2H,1H3;1H
InChIKeyNUWRHJLBJVTROR-UHFFFAOYSA-N
XLogP5.00
TPSA165.27 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500684.19
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylate;oxolane;[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methanol
CID 157226890
Methane;methyl 3-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylate;oxolane;[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methanol
CID 158845083
Methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 134477520
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 157227516
Ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid
CID 157472670
8-(Chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridin-8-ylmethanol
CID 157517426
Imidazo[1,5-a]pyridine-8-carbaldehyde;imidazo[1,5-a]pyridin-8-ylmethanol
CID 157759103
6-(Chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride
CID 158155319
N-hydroxy-6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxamide;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
CID 158757578
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 158777400
lithium;butane;1-(diethoxymethyl)imidazole;1-ethyl-5-fluoroindolizine-8-carbaldehyde;(1-ethyl-5-fluoroindolizin-8-yl)-(3H-pyrrol-2-yl)methanol;methane;molecular hydrogen
CID 159734084
CID 160654485
CID 160654485

Frequently Asked Questions

What is the IUPAC name of ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride?
The IUPAC name of ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride (CID 157188994) is ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride.
What is the SMILES notation for ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride?
The canonical SMILES for ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride is C1CCOC1.CC.CO.CON(C)C(=O)c1ccc2cncn2c1.Cl.O=C(O)c1ccc2cncn2c1.O=Cc1ccc2cncn2c1.
What is the InChIKey of ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride?
The InChIKey is NUWRHJLBJVTROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.C8H6N2O2.C8H6N2O.C4H8O.C2H6.CH4O.ClH/c1-12(15-2)10(14)8-3-4-9-5-11-7-13(9)6-8;11-8(12)6-1-2-7-3-9-5-10(7)4-6;11-5-7-1-2-8-3-9-6-10(8)4-7;1-2-4-5-3-1;2*1-2;/h3-7H,1-2H3;1-5H,(H,11,12);1-6H;1-4H2;1-2H3;2H,1H3;1H.
What are the key properties of ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride?
ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride has a molecular weight of 684.19 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride is sourced from PubChem (CID 157188994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).