N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide

C19H18N4O5 — CID 93485966

IUPACN-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H18N4O5/c24-18(20-11-3-4-15-16(6-11)28-10-27-15)13-8-23(7-12-2-1-5-26-12)9-14-17(13)21-22-19(14)25/h3-4,6,8-9,12H,1-2,5,7,10H2,(H,20,24)(H,22,25)/t12-/m0/s1
InChIKeyXKXVOHZQBIGCMU-LBPRGKRZSA-N
MW382.38 g/mol
LogP1.84
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide

N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 93485966) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID93485966
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H18N4O5/c24-18(20-11-3-4-15-16(6-11)28-10-27-15)13-8-23(7-12-2-1-5-26-12)9-14-17(13)21-22-19(14)25/h3-4,6,8-9,12H,1-2,5,7,10H2,(H,20,24)(H,22,25)/t12-/m0/s1
InChIKeyXKXVOHZQBIGCMU-LBPRGKRZSA-N
XLogP1.84
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 93485978
N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 93485958
N-(1,3-benzodioxol-5-yl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182791
N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 92522852
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
N-(1,3-benzodioxol-5-yl)-2-[[2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 41428571
1-N'-(1,3-benzodioxol-5-yl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973367
N-(1,3-benzodioxol-5-yl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1077889
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 2291853
methyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239680
N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570591

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 93485966) is N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is XKXVOHZQBIGCMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N4O5/c24-18(20-11-3-4-15-16(6-11)28-10-27-15)13-8-23(7-12-2-1-5-26-12)9-14-17(13)21-22-19(14)25/h3-4,6,8-9,12H,1-2,5,7,10H2,(H,20,24)(H,22,25)/t12-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 93485966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).