[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone

C32H34N4O5S — CID 144982350

IUPAC[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone
SMILESCOc1cc(OC)cc(-n2nc(C(=O)N3CCSCC3(C)C)c3c2-c2cc(-c4cncc(C)c4)c(OC)cc2OC3)c1
InChIInChI=1S/C32H34N4O5S/c1-19-9-20(16-33-15-19)24-13-25-28(14-27(24)40-6)41-17-26-29(31(37)35-7-8-42-18-32(35,2)3)34-36(30(25)26)21-10-22(38-4)12-23(11-21)39-5/h9-16H,7-8,17-18H2,1-6H3
InChIKeyYNMVMGXTVMNQAX-UHFFFAOYSA-N
MW586.71 g/mol
LogP5.80
Rot. Bonds6

About [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone

[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone (PubChem CID 144982350) has the molecular formula C32H34N4O5S and a molecular weight of 586.71 g/mol. Its IUPAC name is [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone
PubChem CID144982350
Molecular FormulaC32H34N4O5S
Molecular Weight586.71 g/mol
Exact Mass586.22
IUPAC Name[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone
SMILESCOc1cc(OC)cc(-n2nc(C(=O)N3CCSCC3(C)C)c3c2-c2cc(-c4cncc(C)c4)c(OC)cc2OC3)c1
InChIInChI=1S/C32H34N4O5S/c1-19-9-20(16-33-15-19)24-13-25-28(14-27(24)40-6)41-17-26-29(31(37)35-7-8-42-18-32(35,2)3)34-36(30(25)26)21-10-22(38-4)12-23(11-21)39-5/h9-16H,7-8,17-18H2,1-6H3
InChIKeyYNMVMGXTVMNQAX-UHFFFAOYSA-N
XLogP5.80
TPSA87.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.71
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide
CID 118615247
2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetic acid
CID 118615258
3-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-1-methylpyrazole-4-carbonitrile
CID 118615262
5-[1-(3-chloro-5-fluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carbonitrile
CID 118615272
5-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carbonitrile
CID 118615275
N-tert-butyl-1-(3,5-difluorophenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615276
N-tert-butyl-8-(5-carbamoyl-3-pyridinyl)-1-(3,5-difluorophenyl)-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615306
2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetic acid
CID 118615557
N-(2-cyanopropan-2-yl)-8-(5-cyano-3-pyridinyl)-1-(3,5-difluorophenyl)-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615573
N-tert-butyl-1-(3,5-dichlorophenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615579
[1-(3,5-dichlorophenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone
CID 118615585
2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide
CID 118615587

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone (CID 144982350) is [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone is COc1cc(OC)cc(-n2nc(C(=O)N3CCSCC3(C)C)c3c2-c2cc(-c4cncc(C)c4)c(OC)cc2OC3)c1.
What is the InChIKey of [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is YNMVMGXTVMNQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O5S/c1-19-9-20(16-33-15-19)24-13-25-28(14-27(24)40-6)41-17-26-29(31(37)35-7-8-42-18-32(35,2)3)34-36(30(25)26)21-10-22(38-4)12-23(11-21)39-5/h9-16H,7-8,17-18H2,1-6H3.
What are the key properties of [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone?
[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 586.71 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxyphenyl)-7-methoxy-8-(5-methyl-3-pyridinyl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 144982350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).