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

C19H22N6O — CID 155253801

IUPAC3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile
SMILESCc1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(CCC#N)C2)o1
InChIInChI=1S/C19H22N6O/c1-13-10-23-19(26-13)16-11-22-18-15(5-7-21-18)17(16)24-14-4-2-8-25(12-14)9-3-6-20/h5,7,10-11,14H,2-4,8-9,12H2,1H3,(H2,21,22,24)/t14-/m1/s1
InChIKeyFAKHOSRAXHCOFE-CQSZACIVSA-N
MW350.43 g/mol
LogP3.32
Rot. Bonds5

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

3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile (PubChem CID 155253801) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile
PubChem CID155253801
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile
SMILESCc1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(CCC#N)C2)o1
InChIInChI=1S/C19H22N6O/c1-13-10-23-19(26-13)16-11-22-18-15(5-7-21-18)17(16)24-14-4-2-8-25(12-14)9-3-6-20/h5,7,10-11,14H,2-4,8-9,12H2,1H3,(H2,21,22,24)/t14-/m1/s1
InChIKeyFAKHOSRAXHCOFE-CQSZACIVSA-N
XLogP3.32
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile (CID 155253801) is 3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile is Cc1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(CCC#N)C2)o1.
What is the InChIKey of 3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile?
The InChIKey is FAKHOSRAXHCOFE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-10-23-19(26-13)16-11-22-18-15(5-7-21-18)17(16)24-14-4-2-8-25(12-14)9-3-6-20/h5,7,10-11,14H,2-4,8-9,12H2,1H3,(H2,21,22,24)/t14-/m1/s1.
What are the key properties of 3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile?
3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile has a molecular weight of 350.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile is sourced from PubChem (CID 155253801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).