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

C23H17N5OS — CID 163303255

IUPAC(7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncncc45)n3)c2)CCc2cccnc21
InChIInChI=1S/C23H17N5OS/c29-23(7-6-14-4-2-8-25-20(14)23)16-5-1-3-15(9-16)19-12-30-22(28-19)18-11-26-21-17(18)10-24-13-27-21/h1-5,8-13,29H,6-7H2,(H,24,26,27)/t23-/m1/s1
InChIKeyQKMWVJMEKVKXON-HSZRJFAPSA-N
MW411.49 g/mol
LogP4.33
Rot. Bonds3

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

(7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol (PubChem CID 163303255) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is (7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name(7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
PubChem CID163303255
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC Name(7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncncc45)n3)c2)CCc2cccnc21
InChIInChI=1S/C23H17N5OS/c29-23(7-6-14-4-2-8-25-20(14)23)16-5-1-3-15(9-16)19-12-30-22(28-19)18-11-26-21-17(18)10-24-13-27-21/h1-5,8-13,29H,6-7H2,(H,24,26,27)/t23-/m1/s1
InChIKeyQKMWVJMEKVKXON-HSZRJFAPSA-N
XLogP4.33
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

WO2022104348, Example 94
CID 163303357
WO2022104348, Example 96
CID 164607791
WO2022104348, Example 24
CID 164607763
WO2022104348, Example 25
CID 164607764
WO2022104348, Example 29
CID 164607768
WO2022104348, Example 41
CID 163303117
WO2022104348, Example 7
CID 163303125
WO2022104348, Example 83
CID 163303127
WO2022104348, Example 36
CID 163303147
WO2022104348, Example 6
CID 163303206
WO2022104348, Example 84
CID 163303231
WO2022104348, Example 53
CID 163303271

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The IUPAC name of (7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol (CID 163303255) is (7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol.
What is the SMILES notation for (7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The canonical SMILES for (7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol is O[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncncc45)n3)c2)CCc2cccnc21.
What is the InChIKey of (7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The InChIKey is QKMWVJMEKVKXON-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H17N5OS/c29-23(7-6-14-4-2-8-25-20(14)23)16-5-1-3-15(9-16)19-12-30-22(28-19)18-11-26-21-17(18)10-24-13-27-21/h1-5,8-13,29H,6-7H2,(H,24,26,27)/t23-/m1/s1.
What are the key properties of (7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
(7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol has a molecular weight of 411.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 163303255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).