1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C25H26N10O — CID 170737474

About 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 170737474) has the molecular formula C25H26N10O and a molecular weight of 482.55 g/mol. Its IUPAC name is 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
• PubChem CID: 170737474
• Molecular Formula: C25H26N10O
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.23
• IUPAC Name: 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
• SMILES: C[C@H](C#N)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1N1C=C(C2CCC(CC=O)CC2)NN1
• InChI: InChI=1S/C25H26N10O/c1-16(10-26)31-21-9-24(35-25-20(13-30-35)8-18(11-27)12-29-25)28-14-23(21)34-15-22(32-33-34)19-4-2-17(3-5-19)6-7-36/h7-9,12-17,19,32-33H,2-6H2,1H3,(H,28,31)/t16-,17?,19?/m1/s1
• InChIKey: VEFMPXNKZMXCHG-LRYGQEGESA-N
• XLogP: 3.08
• TPSA: 147.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

The IUPAC name of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 170737474) is 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

What is the SMILES notation for 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

The canonical SMILES for 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is C[C@H](C#N)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1N1C=C(C2CCC(CC=O)CC2)NN1.

What is the InChIKey of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

The InChIKey is VEFMPXNKZMXCHG-LRYGQEGESA-N. The full InChI is InChI=1S/C25H26N10O/c1-16(10-26)31-21-9-24(35-25-20(13-30-35)8-18(11-27)12-29-25)28-14-23(21)34-15-22(32-33-34)19-4-2-17(3-5-19)6-7-36/h7-9,12-17,19,32-33H,2-6H2,1H3,(H,28,31)/t16-,17?,19?/m1/s1.

What are the key properties of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 482.55 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 170737474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).