1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one

C23H25N7O3 — CID 123181378

IUPAC1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESCC1CCC(Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C23H25N7O3/c1-14-8-9-15(27-20-19-17(10-11-24-20)23(2,3)33-22(19)32)12-29(14)21(31)16-6-4-5-7-18(16)30-26-13-25-28-30/h4-7,10-11,13-15H,8-9,12H2,1-3H3,(H,24,27)
InChIKeyQWUFDWHWAZLNTN-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.57
Rot. Bonds4

About 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one

1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (PubChem CID 123181378) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
PubChem CID123181378
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESCC1CCC(Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C23H25N7O3/c1-14-8-9-15(27-20-19-17(10-11-24-20)23(2,3)33-22(19)32)12-29(14)21(31)16-6-4-5-7-18(16)30-26-13-25-28-30/h4-7,10-11,13-15H,8-9,12H2,1-3H3,(H,24,27)
InChIKeyQWUFDWHWAZLNTN-UHFFFAOYSA-N
XLogP2.57
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118180165
3-[1-(2-Fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)urea
CID 70681111
Methyl 5-methyl-4-[2-methyl-5-(methylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755185
Methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755187
Methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate
CID 165415149
Ethyl 2-(2-{3-oxo-2-phenyl-1H,2H,3H-pyrazolo[3,4-B]pyridin-1-YL}acetamido)benzoate
CID 16025326
ethyl 4-[4-(2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 162651862
Methyl 4-[[5-[(ethylamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755188
2-[3-(6-Oxo-1,2,3,4,6,10b-hexahydro-pyrido[2,1-a]isoindol-10-yl)-ureido]-nicotinic acid methyl ester
CID 67283821
US9737542, Example 111
CID 118008639
US9556190, Example 41
CID 118175273
US9556190, Example 40
CID 118175274

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The IUPAC name of 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (CID 123181378) is 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The canonical SMILES for 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is CC1CCC(Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1.
What is the InChIKey of 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The InChIKey is QWUFDWHWAZLNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-14-8-9-15(27-20-19-17(10-11-24-20)23(2,3)33-22(19)32)12-29(14)21(31)16-6-4-5-7-18(16)30-26-13-25-28-30/h4-7,10-11,13-15H,8-9,12H2,1-3H3,(H,24,27).
What are the key properties of 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one has a molecular weight of 447.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 123181378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).