5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C16H26N4O2 — CID 99928056

IUPAC5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1CCN(C[C@@H]1CCOC(C)(C)C1)C2
InChIInChI=1S/C16H26N4O2/c1-16(2)8-11(5-7-22-16)9-20-6-4-13-12(10-20)14(15(17)21)18-19(13)3/h11H,4-10H2,1-3H3,(H2,17,21)/t11-/m1/s1
InChIKeyLRMJNZZGBMEWPQ-LLVKDONJSA-N
MW306.41 g/mol
LogP1.08
Rot. Bonds3

About 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 99928056) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID99928056
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1CCN(C[C@@H]1CCOC(C)(C)C1)C2
InChIInChI=1S/C16H26N4O2/c1-16(2)8-11(5-7-22-16)9-20-6-4-13-12(10-20)14(15(17)21)18-19(13)3/h11H,4-10H2,1-3H3,(H2,17,21)/t11-/m1/s1
InChIKeyLRMJNZZGBMEWPQ-LLVKDONJSA-N
XLogP1.08
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 99928056) is 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(N)=O)c2c1CCN(C[C@@H]1CCOC(C)(C)C1)C2.
What is the InChIKey of 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is LRMJNZZGBMEWPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2)8-11(5-7-22-16)9-20-6-4-13-12(10-20)14(15(17)21)18-19(13)3/h11H,4-10H2,1-3H3,(H2,17,21)/t11-/m1/s1.
What are the key properties of 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 99928056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).