cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine

C22H22N6O — CID 71253839

About cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine

cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine (PubChem CID 71253839) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine
• PubChem CID: 71253839
• Molecular Formula: C22H22N6O
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.19
• IUPAC Name: cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine
• SMILES: N[C@H]1CCC[C@@H](Oc2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1
• InChI: InChI=1S/C22H22N6O/c23-15-5-1-6-16(10-15)29-21-8-2-7-18(26-21)22-17-11-19(14-4-3-9-24-12-14)25-13-20(17)27-28-22/h2-4,7-9,11-13,15-16H,1,5-6,10,23H2,(H,27,28)/t15-,16+/m0/s1
• InChIKey: KSGJSAYVCSNIIB-JKSUJKDBSA-N
• XLogP: 3.73
• TPSA: 102.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine?

The IUPAC name of cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine (CID 71253839) is cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine.

What is the SMILES notation for cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine?

The canonical SMILES for cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine is N[C@H]1CCC[C@@H](Oc2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1.

What is the InChIKey of cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine?

The InChIKey is KSGJSAYVCSNIIB-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H22N6O/c23-15-5-1-6-16(10-15)29-21-8-2-7-18(26-21)22-17-11-19(14-4-3-9-24-12-14)25-13-20(17)27-28-22/h2-4,7-9,11-13,15-16H,1,5-6,10,23H2,(H,27,28)/t15-,16+/m0/s1.

What are the key properties of cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine?

cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine has a molecular weight of 386.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine is sourced from PubChem (CID 71253839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).