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

C24H18N4OS — CID 163303289

IUPAC(7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncccc45)n3)c2)CCc2cccnc21
InChIInChI=1S/C24H18N4OS/c29-24(9-8-15-5-2-10-25-21(15)24)17-6-1-4-16(12-17)20-14-30-23(28-20)19-13-27-22-18(19)7-3-11-26-22/h1-7,10-14,29H,8-9H2,(H,26,27)/t24-/m1/s1
InChIKeyXWQFCRSRXPDJSO-XMMPIXPASA-N
MW410.50 g/mol
LogP4.93
Rot. Bonds3

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

(7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol (PubChem CID 163303289) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name(7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
PubChem CID163303289
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name(7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncccc45)n3)c2)CCc2cccnc21
InChIInChI=1S/C24H18N4OS/c29-24(9-8-15-5-2-10-25-21(15)24)17-6-1-4-16(12-17)20-14-30-23(28-20)19-13-27-22-18(19)7-3-11-26-22/h1-7,10-14,29H,8-9H2,(H,26,27)/t24-/m1/s1
InChIKeyXWQFCRSRXPDJSO-XMMPIXPASA-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 (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The IUPAC name of (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol (CID 163303289) is (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol.
What is the SMILES notation for (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The canonical SMILES for (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol is O[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncccc45)n3)c2)CCc2cccnc21.
What is the InChIKey of (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The InChIKey is XWQFCRSRXPDJSO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H18N4OS/c29-24(9-8-15-5-2-10-25-21(15)24)17-6-1-4-16(12-17)20-14-30-23(28-20)19-13-27-22-18(19)7-3-11-26-22/h1-7,10-14,29H,8-9H2,(H,26,27)/t24-/m1/s1.
What are the key properties of (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
(7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]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 (7R)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 163303289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).