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

C19H19N5O4 — CID 93485978

IUPACN-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H19N5O4/c20-17(25)12-5-1-2-6-15(12)21-18(26)13-9-24(8-11-4-3-7-28-11)10-14-16(13)22-23-19(14)27/h1-2,5-6,9-11H,3-4,7-8H2,(H2,20,25)(H,21,26)(H,23,27)/t11-/m0/s1
InChIKeyYEDVSZMIQBDKCB-NSHDSACASA-N
MW381.39 g/mol
LogP1.21
Rot. Bonds5

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

N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 93485978) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID93485978
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H19N5O4/c20-17(25)12-5-1-2-6-15(12)21-18(26)13-9-24(8-11-4-3-7-28-11)10-14-16(13)22-23-19(14)27/h1-2,5-6,9-11H,3-4,7-8H2,(H2,20,25)(H,21,26)(H,23,27)/t11-/m0/s1
InChIKeyYEDVSZMIQBDKCB-NSHDSACASA-N
XLogP1.21
TPSA132.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 93485966
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-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570591
N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 92522852
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
2-[[2-[[5-oxo-4-[[(2S)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 8892140
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carbonyl]amino]benzoate
CID 6982548
2-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carbonyl]amino]benzoic acid
CID 1369615
N-(2-fluorophenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025406
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 93485978) is N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide is NC(=O)c1ccccc1NC(=O)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is YEDVSZMIQBDKCB-NSHDSACASA-N. The full InChI is InChI=1S/C19H19N5O4/c20-17(25)12-5-1-2-6-15(12)21-18(26)13-9-24(8-11-4-3-7-28-11)10-14-16(13)22-23-19(14)27/h1-2,5-6,9-11H,3-4,7-8H2,(H2,20,25)(H,21,26)(H,23,27)/t11-/m0/s1.
What are the key properties of N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide?
N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 93485978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).