cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol

C23H21N5O2S — CID 66760077

About cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol

cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 66760077) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol
• PubChem CID: 66760077
• Molecular Formula: C23H21N5O2S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.14
• IUPAC Name: cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol
• SMILES: Nc1ncc(-c2cnn([C@@H]3CCC[C@H](O)C3)c2)c2cc(-c3csc4cnccc34)oc12
• InChI: InChI=1S/C23H21N5O2S/c24-23-22-17(7-20(30-22)19-12-31-21-10-25-5-4-16(19)21)18(9-26-23)13-8-27-28(11-13)14-2-1-3-15(29)6-14/h4-5,7-12,14-15,29H,1-3,6H2,(H2,24,26)/t14-,15+/m1/s1
• InChIKey: NHRRRGUTVOXUCP-CABCVRRESA-N
• XLogP: 5.03
• TPSA: 102.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol?

The IUPAC name of cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol (CID 66760077) is cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol.

What is the SMILES notation for cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol?

The canonical SMILES for cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol is Nc1ncc(-c2cnn([C@@H]3CCC[C@H](O)C3)c2)c2cc(-c3csc4cnccc34)oc12.

What is the InChIKey of cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol?

The InChIKey is NHRRRGUTVOXUCP-CABCVRRESA-N. The full InChI is InChI=1S/C23H21N5O2S/c24-23-22-17(7-20(30-22)19-12-31-21-10-25-5-4-16(19)21)18(9-26-23)13-8-27-28(11-13)14-2-1-3-15(29)6-14/h4-5,7-12,14-15,29H,1-3,6H2,(H2,24,26)/t14-,15+/m1/s1.

What are the key properties of cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol?

cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 431.52 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 66760077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).