(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C23H27N3O5 — CID 147221525

IUPAC(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-13(14-6-7-16(27)8-14)31-23-17-12-26(2)25-19(17)11-18(24-23)15-9-20(28-3)22(30-5)21(10-15)29-4/h9-14H,6-8H2,1-5H3/t13-,14+/m1/s1
InChIKeyCHDXKEDSAITMEE-KGLIPLIRSA-N
MW425.49 g/mol
LogP3.80
Rot. Bonds7

About (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 147221525) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID147221525
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-13(14-6-7-16(27)8-14)31-23-17-12-26(2)25-19(17)11-18(24-23)15-9-20(28-3)22(30-5)21(10-15)29-4/h9-14H,6-8H2,1-5H3/t13-,14+/m1/s1
InChIKeyCHDXKEDSAITMEE-KGLIPLIRSA-N
XLogP3.80
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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Related Compounds

(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
CID 57404068
(4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071885
(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
CID 58072037
(E)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 51577188
(4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
CID 58071999
US9914735, Example 8
CID 136934035
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 51561614
6,7-Dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
CID 171346708
US9914735, Example 73
CID 118386409
US9914735, Example 1
CID 118386425
US9914735, Example 52
CID 118401299
US9914735, Example 81
CID 118401318

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 147221525) is (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc(OC)c1OC.
What is the InChIKey of (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is CHDXKEDSAITMEE-KGLIPLIRSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-13(14-6-7-16(27)8-14)31-23-17-12-26(2)25-19(17)11-18(24-23)15-9-20(28-3)22(30-5)21(10-15)29-4/h9-14H,6-8H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 425.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 147221525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).