3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

C19H21N7O2 — CID 155254110

About 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 155254110) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

• Compound Name: 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
• PubChem CID: 155254110
• Molecular Formula: C19H21N7O2
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.18
• IUPAC Name: 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
• SMILES: Cc1nnc(-c2cnc3[nH]ccc3c2N[C@@H]2C[C@H](C)CN(C(=O)CC#N)C2)o1
• InChI: InChI=1S/C19H21N7O2/c1-11-7-13(10-26(9-11)16(27)3-5-20)23-17-14-4-6-21-18(14)22-8-15(17)19-25-24-12(2)28-19/h4,6,8,11,13H,3,7,9-10H2,1-2H3,(H2,21,22,23)/t11-,13+/m0/s1
• InChIKey: HPLMVPSPZAKDEK-WCQYABFASA-N
• XLogP: 2.48
• TPSA: 123.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

The IUPAC name of 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 155254110) is 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

What is the SMILES notation for 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

The canonical SMILES for 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is Cc1nnc(-c2cnc3[nH]ccc3c2N[C@@H]2C[C@H](C)CN(C(=O)CC#N)C2)o1.

What is the InChIKey of 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

The InChIKey is HPLMVPSPZAKDEK-WCQYABFASA-N. The full InChI is InChI=1S/C19H21N7O2/c1-11-7-13(10-26(9-11)16(27)3-5-20)23-17-14-4-6-21-18(14)22-8-15(17)19-25-24-12(2)28-19/h4,6,8,11,13H,3,7,9-10H2,1-2H3,(H2,21,22,23)/t11-,13+/m0/s1.

What are the key properties of 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 379.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S,5R)-3-methyl-5-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 155254110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).