(3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C24H29N3O4 — CID 157397895

IUPAC(3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)ccc1OC(C)C
InChIInChI=1S/C24H29N3O4/c1-14(2)30-22-9-7-17(11-23(22)29-5)20-12-21-19(13-27(4)26-21)24(25-20)31-15(3)16-6-8-18(28)10-16/h7,9,11-16H,6,8,10H2,1-5H3/t15-,16+/m1/s1
InChIKeySHGOMHAYNMGWIE-CVEARBPZSA-N
MW423.51 g/mol
LogP4.57
Rot. Bonds7

About (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 157397895) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID157397895
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)ccc1OC(C)C
InChIInChI=1S/C24H29N3O4/c1-14(2)30-22-9-7-17(11-23(22)29-5)20-12-21-19(13-27(4)26-21)24(25-20)31-15(3)16-6-8-18(28)10-16/h7,9,11-16H,6,8,10H2,1-5H3/t15-,16+/m1/s1
InChIKeySHGOMHAYNMGWIE-CVEARBPZSA-N
XLogP4.57
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
CID 58071876
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071980
(4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58072001
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
CID 58072004
4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58072051
(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
CID 58072062
(4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
CID 58072076
3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
CID 71448706
(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one
CID 58071860
(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
CID 58071905
(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071956
(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one
CID 58071982

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 157397895) is (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[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)ccc1OC(C)C.
What is the InChIKey of (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is SHGOMHAYNMGWIE-CVEARBPZSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-14(2)30-22-9-7-17(11-23(22)29-5)20-12-21-19(13-27(4)26-21)24(25-20)31-15(3)16-6-8-18(28)10-16/h7,9,11-16H,6,8,10H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 423.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 157397895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).