1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C24H25N7O — CID 135200740

About 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135200740) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
• PubChem CID: 135200740
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
• SMILES: CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cc(C2CCCCC2)no1
• InChI: InChI=1S/C24H25N7O/c1-15(2)29-21-10-23(31-24-18(13-28-31)8-16(11-25)12-27-24)26-14-19(21)22-9-20(30-32-22)17-6-4-3-5-7-17/h8-10,12-15,17H,3-7H2,1-2H3,(H,26,29)
• InChIKey: IPZZAMHGGZYFIZ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 105.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

The IUPAC name of 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135200740) is 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

What is the SMILES notation for 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

The canonical SMILES for 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cc(C2CCCCC2)no1.

What is the InChIKey of 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

The InChIKey is IPZZAMHGGZYFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-15(2)29-21-10-23(31-24-18(13-28-31)8-16(11-25)12-27-24)26-14-19(21)22-9-20(30-32-22)17-6-4-3-5-7-17/h8-10,12-15,17H,3-7H2,1-2H3,(H,26,29).

What are the key properties of 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 427.51 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135200740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).