5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

C18H21N5O — CID 86293960

IUPAC5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESCOc1ccc(N)nc1-c1ccnc2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C18H21N5O/c1-24-15-4-5-16(19)23-17(15)12-6-8-21-18-13(12)9-14(22-18)11-3-2-7-20-10-11/h4-6,8-9,11,20H,2-3,7,10H2,1H3,(H2,19,23)(H,21,22)
InChIKeyLQXPKMFLWAWEPU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.68
Rot. Bonds3

About 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86293960) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86293960
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESCOc1ccc(N)nc1-c1ccnc2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C18H21N5O/c1-24-15-4-5-16(19)23-17(15)12-6-8-21-18-13(12)9-14(22-18)11-3-2-7-20-10-11/h4-6,8-9,11,20H,2-3,7,10H2,1H3,(H2,19,23)(H,21,22)
InChIKeyLQXPKMFLWAWEPU-UHFFFAOYSA-N
XLogP2.68
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86293960) is 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is COc1ccc(N)nc1-c1ccnc2[nH]c(C3CCCNC3)cc12.
What is the InChIKey of 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is LQXPKMFLWAWEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-15-4-5-16(19)23-17(15)12-6-8-21-18-13(12)9-14(22-18)11-3-2-7-20-10-11/h4-6,8-9,11,20H,2-3,7,10H2,1H3,(H2,19,23)(H,21,22).
What are the key properties of 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86293960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).