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

C26H22N4OS — CID 163303147

IUPAC(7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol
SMILESCC1(C)Cc2cccnc2[C@]1(O)c1cccc(-c2csc(-c3c[nH]c4ncccc34)n2)c1
InChIInChI=1S/C26H22N4OS/c1-25(2)13-17-7-4-10-27-22(17)26(25,31)18-8-3-6-16(12-18)21-15-32-24(30-21)20-14-29-23-19(20)9-5-11-28-23/h3-12,14-15,31H,13H2,1-2H3,(H,28,29)/t26-/m1/s1
InChIKeyAZWHKGYUNKLJKO-AREMUKBSSA-N
MW438.56 g/mol
LogP5.57
Rot. Bonds3

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

(7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 163303147) has the molecular formula C26H22N4OS and a molecular weight of 438.56 g/mol. Its IUPAC name is (7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name(7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol
PubChem CID163303147
Molecular FormulaC26H22N4OS
Molecular Weight438.56 g/mol
Exact Mass438.15
IUPAC Name(7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol
SMILESCC1(C)Cc2cccnc2[C@]1(O)c1cccc(-c2csc(-c3c[nH]c4ncccc34)n2)c1
InChIInChI=1S/C26H22N4OS/c1-25(2)13-17-7-4-10-27-22(17)26(25,31)18-8-3-6-16(12-18)21-15-32-24(30-21)20-14-29-23-19(20)9-5-11-28-23/h3-12,14-15,31H,13H2,1-2H3,(H,28,29)/t26-/m1/s1
InChIKeyAZWHKGYUNKLJKO-AREMUKBSSA-N
XLogP5.57
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol?
The IUPAC name of (7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol (CID 163303147) is (7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol.
What is the SMILES notation for (7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol?
The canonical SMILES for (7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol is CC1(C)Cc2cccnc2[C@]1(O)c1cccc(-c2csc(-c3c[nH]c4ncccc34)n2)c1.
What is the InChIKey of (7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol?
The InChIKey is AZWHKGYUNKLJKO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22N4OS/c1-25(2)13-17-7-4-10-27-22(17)26(25,31)18-8-3-6-16(12-18)21-15-32-24(30-21)20-14-29-23-19(20)9-5-11-28-23/h3-12,14-15,31H,13H2,1-2H3,(H,28,29)/t26-/m1/s1.
What are the key properties of (7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol?
(7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 438.56 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6,6-dimethyl-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 163303147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).