5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one

C20H23N3O3 — CID 131997434

IUPAC5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3CCO[C@H]3C)c2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-13-10-19-17(11-21-23(19)18-8-9-26-14(18)2)20(24)22(13)12-15-4-6-16(25-3)7-5-15/h4-7,10-11,14,18H,8-9,12H2,1-3H3/t14-,18?/m0/s1
InChIKeySBPLRPBAFIENJD-PIVQAISJSA-N
MW353.42 g/mol
LogP2.91
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one

5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one (PubChem CID 131997434) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one
PubChem CID131997434
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3CCO[C@H]3C)c2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-13-10-19-17(11-21-23(19)18-8-9-26-14(18)2)20(24)22(13)12-15-4-6-16(25-3)7-5-15/h4-7,10-11,14,18H,8-9,12H2,1-3H3/t14-,18?/m0/s1
InChIKeySBPLRPBAFIENJD-PIVQAISJSA-N
XLogP2.91
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-[4-(1-pyrrolidinylcarbonyl)phenoxy]piperidine
CID 24791615
[4-[[1-[(1-Isopropylpyrazol-4-yl)methyl]-4-piperidyl]oxy]phenyl]-pyrrolidino-methanone
CID 24819295
N-(3-amino-3-oxopropyl)-1-benzyl-5-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
CID 155554067
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 73603545
1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide
CID 91668725
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 118473232
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 118473233
3-cyano-N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1-methylpyrazole-4-carboxamide
CID 118473241
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1-methylpyrazole-4-carboxamide
CID 118473448
N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 2766105
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-[4-(1-pyrrolidinylcarbonyl)phenoxy]piperidine
CID 24794346

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one (CID 131997434) is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one is COc1ccc(Cn2c(C)cc3c(cnn3C3CCO[C@H]3C)c2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is SBPLRPBAFIENJD-PIVQAISJSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-10-19-17(11-21-23(19)18-8-9-26-14(18)2)20(24)22(13)12-15-4-6-16(25-3)7-5-15/h4-7,10-11,14,18H,8-9,12H2,1-3H3/t14-,18?/m0/s1.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one?
5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 353.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-[(2S)-2-methyloxolan-3-yl]pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131997434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).