5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C16H19N5O3S — CID 155253913

IUPAC5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)o1
InChIInChI=1S/C16H19N5O3S/c1-25(22,23)13-9-20-16(24-13)12-8-19-15-11(4-6-18-15)14(12)21-10-3-2-5-17-7-10/h4,6,8-10,17H,2-3,5,7H2,1H3,(H2,18,19,21)/t10-/m1/s1
InChIKeyCPLIQJUPKRHETM-SNVBAGLBSA-N
MW361.43 g/mol
LogP1.79
Rot. Bonds4

About 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 155253913) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID155253913
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)o1
InChIInChI=1S/C16H19N5O3S/c1-25(22,23)13-9-20-16(24-13)12-8-19-15-11(4-6-18-15)14(12)21-10-3-2-5-17-7-10/h4,6,8-10,17H,2-3,5,7H2,1H3,(H2,18,19,21)/t10-/m1/s1
InChIKeyCPLIQJUPKRHETM-SNVBAGLBSA-N
XLogP1.79
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 155253913) is 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is CS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)o1.
What is the InChIKey of 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is CPLIQJUPKRHETM-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-25(22,23)13-9-20-16(24-13)12-8-19-15-11(4-6-18-15)14(12)21-10-3-2-5-17-7-10/h4,6,8-10,17H,2-3,5,7H2,1H3,(H2,18,19,21)/t10-/m1/s1.
What are the key properties of 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 361.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 155253913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).