N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C16H19N5O — CID 155254049

IUPACN-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESC[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN1
InChIInChI=1S/C16H19N5O/c1-10-2-3-11(8-19-10)21-14-12-4-5-17-15(12)20-9-13(14)16-18-6-7-22-16/h4-7,9-11,19H,2-3,8H2,1H3,(H2,17,20,21)/t10-,11+/m0/s1
InChIKeyIECIYZOQENOHID-WDEREUQCSA-N
MW297.36 g/mol
LogP2.77
Rot. Bonds3

About N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 155254049) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID155254049
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESC[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN1
InChIInChI=1S/C16H19N5O/c1-10-2-3-11(8-19-10)21-14-12-4-5-17-15(12)20-9-13(14)16-18-6-7-22-16/h4-7,9-11,19H,2-3,8H2,1H3,(H2,17,20,21)/t10-,11+/m0/s1
InChIKeyIECIYZOQENOHID-WDEREUQCSA-N
XLogP2.77
TPSA78.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 155254049) is N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is C[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN1.
What is the InChIKey of N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is IECIYZOQENOHID-WDEREUQCSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-2-3-11(8-19-10)21-14-12-4-5-17-15(12)20-9-13(14)16-18-6-7-22-16/h4-7,9-11,19H,2-3,8H2,1H3,(H2,17,20,21)/t10-,11+/m0/s1.
What are the key properties of N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 297.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 155254049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).