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]propanenitrile

C19H23N7O — CID 155254025

IUPAC3-[(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]propanenitrile
SMILESCc1nnc(-c2cnc3[nH]ccc3c2N[C@@H]2C[C@H](C)CN(CCC#N)C2)o1
InChIInChI=1S/C19H23N7O/c1-12-8-14(11-26(10-12)7-3-5-20)23-17-15-4-6-21-18(15)22-9-16(17)19-25-24-13(2)27-19/h4,6,9,12,14H,3,7-8,10-11H2,1-2H3,(H2,21,22,23)/t12-,14+/m0/s1
InChIKeyYXJKZMXFMFWCPW-GXTWGEPZSA-N
MW365.44 g/mol
LogP2.96
Rot. Bonds5

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]propanenitrile

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]propanenitrile (PubChem CID 155254025) has the molecular formula C19H23N7O and a molecular weight of 365.44 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]propanenitrile.

Molecular Properties

Compound Name3-[(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]propanenitrile
PubChem CID155254025
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name3-[(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]propanenitrile
SMILESCc1nnc(-c2cnc3[nH]ccc3c2N[C@@H]2C[C@H](C)CN(CCC#N)C2)o1
InChIInChI=1S/C19H23N7O/c1-12-8-14(11-26(10-12)7-3-5-20)23-17-15-4-6-21-18(15)22-9-16(17)19-25-24-13(2)27-19/h4,6,9,12,14H,3,7-8,10-11H2,1-2H3,(H2,21,22,23)/t12-,14+/m0/s1
InChIKeyYXJKZMXFMFWCPW-GXTWGEPZSA-N
XLogP2.96
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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]propanenitrile with MolForge

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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]propanenitrile?
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]propanenitrile (CID 155254025) 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]propanenitrile.
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]propanenitrile?
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]propanenitrile is Cc1nnc(-c2cnc3[nH]ccc3c2N[C@@H]2C[C@H](C)CN(CCC#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]propanenitrile?
The InChIKey is YXJKZMXFMFWCPW-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H23N7O/c1-12-8-14(11-26(10-12)7-3-5-20)23-17-15-4-6-21-18(15)22-9-16(17)19-25-24-13(2)27-19/h4,6,9,12,14H,3,7-8,10-11H2,1-2H3,(H2,21,22,23)/t12-,14+/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]propanenitrile?
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]propanenitrile has a molecular weight of 365.44 g/mol, XLogP of 2.96, 5 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]propanenitrile is sourced from PubChem (CID 155254025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).