4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one

C18H24N4O2 — CID 96527174

IUPAC4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one
SMILESCc1cc(C)n(C[C@H](C)CNc2nccc3c2C(=O)OC3(C)C)n1
InChIInChI=1S/C18H24N4O2/c1-11(10-22-13(3)8-12(2)21-22)9-20-16-15-14(6-7-19-16)18(4,5)24-17(15)23/h6-8,11H,9-10H2,1-5H3,(H,19,20)/t11-/m1/s1
InChIKeySTWKBKBPEUQVJN-LLVKDONJSA-N
MW328.42 g/mol
LogP3.05
Rot. Bonds5

About 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one

4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one (PubChem CID 96527174) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one
PubChem CID96527174
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one
SMILESCc1cc(C)n(C[C@H](C)CNc2nccc3c2C(=O)OC3(C)C)n1
InChIInChI=1S/C18H24N4O2/c1-11(10-22-13(3)8-12(2)21-22)9-20-16-15-14(6-7-19-16)18(4,5)24-17(15)23/h6-8,11H,9-10H2,1-5H3,(H,19,20)/t11-/m1/s1
InChIKeySTWKBKBPEUQVJN-LLVKDONJSA-N
XLogP3.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one with MolForge

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Related Compounds

5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 94801285
4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide
CID 94732274
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 96549725
3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine
CID 135117152
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(pyrimidin-2-ylamino)urea
CID 87007937
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylfuran-3-carboxamide
CID 47042468
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62447597
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
CID 91636205
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
CID 94028950

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one?
The IUPAC name of 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one (CID 96527174) is 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one?
The canonical SMILES for 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one is Cc1cc(C)n(C[C@H](C)CNc2nccc3c2C(=O)OC3(C)C)n1.
What is the InChIKey of 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one?
The InChIKey is STWKBKBPEUQVJN-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(10-22-13(3)8-12(2)21-22)9-20-16-15-14(6-7-19-16)18(4,5)24-17(15)23/h6-8,11H,9-10H2,1-5H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one?
4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one has a molecular weight of 328.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one is sourced from PubChem (CID 96527174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).