(7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol

C24H18N4OS — CID 163303210

IUPAC(7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol
SMILESO[C@]1(c2cccc(-c3csc(-c4c[nH]c5ncccc45)n3)c2)CCc2ccncc21
InChIInChI=1S/C24H18N4OS/c29-24(8-6-15-7-10-25-13-20(15)24)17-4-1-3-16(11-17)21-14-30-23(28-21)19-12-27-22-18(19)5-2-9-26-22/h1-5,7,9-14,29H,6,8H2,(H,26,27)/t24-/m0/s1
InChIKeyOUZRGYNGBNPHFE-DEOSSOPVSA-N
MW410.50 g/mol
LogP4.93
Rot. Bonds3

About (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol

(7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol (PubChem CID 163303210) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol.

Molecular Properties

Compound Name(7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol
PubChem CID163303210
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name(7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol
SMILESO[C@]1(c2cccc(-c3csc(-c4c[nH]c5ncccc45)n3)c2)CCc2ccncc21
InChIInChI=1S/C24H18N4OS/c29-24(8-6-15-7-10-25-13-20(15)24)17-4-1-3-16(11-17)21-14-30-23(28-21)19-12-27-22-18(19)5-2-9-26-22/h1-5,7,9-14,29H,6,8H2,(H,26,27)/t24-/m0/s1
InChIKeyOUZRGYNGBNPHFE-DEOSSOPVSA-N
XLogP4.93
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol with MolForge

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Related Compounds

(7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
CID 163303231
(3S)-3-hydroxy-1-methyl-3-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]pyrrolo[3,2-b]pyridin-2-one
CID 163303516
(6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol
CID 164607759
(7S)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
CID 163303360
1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 170541363
(3R)-3-[3-[2-(2-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303186
(3R)-3-hydroxy-3-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163303143
(4R)-4-[3-[2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[d][1,3]thiazol-4-ol
CID 175730815
7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 163303372
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-[3-[4-(2-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 174200448
N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 57421983

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol?
The IUPAC name of (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol (CID 163303210) is (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol.
What is the SMILES notation for (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol?
The canonical SMILES for (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol is O[C@]1(c2cccc(-c3csc(-c4c[nH]c5ncccc45)n3)c2)CCc2ccncc21.
What is the InChIKey of (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol?
The InChIKey is OUZRGYNGBNPHFE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H18N4OS/c29-24(8-6-15-7-10-25-13-20(15)24)17-4-1-3-16(11-17)21-14-30-23(28-21)19-12-27-22-18(19)5-2-9-26-22/h1-5,7,9-14,29H,6,8H2,(H,26,27)/t24-/m0/s1.
What are the key properties of (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol?
(7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol has a molecular weight of 410.50 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol is sourced from PubChem (CID 163303210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).