4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

C24H31N5O3S — CID 170020511

IUPAC4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC2(CC1)CN(SC)C2
InChIInChI=1S/C24H31N5O3S/c1-27-12-18(17-11-25-26-22(17)23(27)30)16-9-20(31-2)19(21(10-16)32-3)13-28-7-5-24(6-8-28)14-29(15-24)33-4/h9-12H,5-8,13-15H2,1-4H3,(H,25,26)
InChIKeyHPRYBPXSGSXZQN-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.12
Rot. Bonds6

About 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 170020511) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID170020511
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC2(CC1)CN(SC)C2
InChIInChI=1S/C24H31N5O3S/c1-27-12-18(17-11-25-26-22(17)23(27)30)16-9-20(31-2)19(21(10-16)32-3)13-28-7-5-24(6-8-28)14-29(15-24)33-4/h9-12H,5-8,13-15H2,1-4H3,(H,25,26)
InChIKeyHPRYBPXSGSXZQN-UHFFFAOYSA-N
XLogP3.12
TPSA75.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 177321527
4-[3,5-dimethoxy-4-[(propan-2-ylamino)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167060406
4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167379571
4-[4-[(4-iodopiperazin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 167116914
1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
CID 164720331
4-[3,5-dimethoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-methylisoquinolin-1-one
CID 170020193
(3S)-3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 166729949
3-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-fluoroanilino]piperidine-2,6-dione
CID 163661669
2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
CID 164719945
3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione
CID 164719833
3-[4-[1-[6-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-6-oxohexyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 164720212
4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672442

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (CID 170020511) is 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC2(CC1)CN(SC)C2.
What is the InChIKey of 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is HPRYBPXSGSXZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-27-12-18(17-11-25-26-22(17)23(27)30)16-9-20(31-2)19(21(10-16)32-3)13-28-7-5-24(6-8-28)14-29(15-24)33-4/h9-12H,5-8,13-15H2,1-4H3,(H,25,26).
What are the key properties of 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 469.61 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 170020511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).