N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

C22H24N4O3 — CID 143855633

IUPACN-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2C[C@H]1O)c1nn(CC2CCOCC2)c2ncccc12
InChIInChI=1S/C22H24N4O3/c27-18-12-15-4-1-2-5-16(15)19(18)24-22(28)20-17-6-3-9-23-21(17)26(25-20)13-14-7-10-29-11-8-14/h1-6,9,14,18-19,27H,7-8,10-13H2,(H,24,28)/t18-,19?/m1/s1
InChIKeyLDPRWVKJKDJGSE-MRTLOADZSA-N
MW392.46 g/mol
LogP2.25
Rot. Bonds4

About N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 143855633) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID143855633
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2C[C@H]1O)c1nn(CC2CCOCC2)c2ncccc12
InChIInChI=1S/C22H24N4O3/c27-18-12-15-4-1-2-5-16(15)19(18)24-22(28)20-17-6-3-9-23-21(17)26(25-20)13-14-7-10-29-11-8-14/h1-6,9,14,18-19,27H,7-8,10-13H2,(H,24,28)/t18-,19?/m1/s1
InChIKeyLDPRWVKJKDJGSE-MRTLOADZSA-N
XLogP2.25
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 107221728
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-2-carboxamide
CID 62339488
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103816843
2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 103869650
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid
CID 70969926
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 68894629
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-1-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 68893852
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
CID 62758276
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (CID 143855633) is N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is O=C(NC1c2ccccc2C[C@H]1O)c1nn(CC2CCOCC2)c2ncccc12.
What is the InChIKey of N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is LDPRWVKJKDJGSE-MRTLOADZSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-18-12-15-4-1-2-5-16(15)19(18)24-22(28)20-17-6-3-9-23-21(17)26(25-20)13-14-7-10-29-11-8-14/h1-6,9,14,18-19,27H,7-8,10-13H2,(H,24,28)/t18-,19?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-(oxan-4-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 143855633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).