N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide

C17H22N4O3 — CID 97382363

IUPACN-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide
SMILESCOCCn1cc2c(n1)[C@H](CNC(=O)c1cccc(C)n1)OCC2
InChIInChI=1S/C17H22N4O3/c1-12-4-3-5-14(19-12)17(22)18-10-15-16-13(6-8-24-15)11-21(20-16)7-9-23-2/h3-5,11,15H,6-10H2,1-2H3,(H,18,22)/t15-/m0/s1
InChIKeyBOAOKJJNTCALTJ-HNNXBMFYSA-N
MW330.39 g/mol
LogP1.28
Rot. Bonds6

About N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide

N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide (PubChem CID 97382363) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide
PubChem CID97382363
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide
SMILESCOCCn1cc2c(n1)[C@H](CNC(=O)c1cccc(C)n1)OCC2
InChIInChI=1S/C17H22N4O3/c1-12-4-3-5-14(19-12)17(22)18-10-15-16-13(6-8-24-15)11-21(20-16)7-9-23-2/h3-5,11,15H,6-10H2,1-2H3,(H,18,22)/t15-/m0/s1
InChIKeyBOAOKJJNTCALTJ-HNNXBMFYSA-N
XLogP1.28
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide (CID 97382363) is N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide is COCCn1cc2c(n1)[C@H](CNC(=O)c1cccc(C)n1)OCC2.
What is the InChIKey of N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is BOAOKJJNTCALTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-4-3-5-14(19-12)17(22)18-10-15-16-13(6-8-24-15)11-21(20-16)7-9-23-2/h3-5,11,15H,6-10H2,1-2H3,(H,18,22)/t15-/m0/s1.
What are the key properties of N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide?
N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 97382363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).