6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine

C23H28ClN5O — CID 86292237

IUPAC6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESClc1cnc2[nH]c(C3CCCNC3)cc2c1-c1cccc(NCC2CCOCC2)n1
InChIInChI=1S/C23H28ClN5O/c24-18-14-27-23-17(11-20(29-23)16-3-2-8-25-13-16)22(18)19-4-1-5-21(28-19)26-12-15-6-9-30-10-7-15/h1,4-5,11,14-16,25H,2-3,6-10,12-13H2,(H,26,28)(H,27,29)
InChIKeyDHQOLUOBJVSKAI-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.58
Rot. Bonds5

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

6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 86292237) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is 6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID86292237
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC Name6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESClc1cnc2[nH]c(C3CCCNC3)cc2c1-c1cccc(NCC2CCOCC2)n1
InChIInChI=1S/C23H28ClN5O/c24-18-14-27-23-17(11-20(29-23)16-3-2-8-25-13-16)22(18)19-4-1-5-21(28-19)26-12-15-6-9-30-10-7-15/h1,4-5,11,14-16,25H,2-3,6-10,12-13H2,(H,26,28)(H,27,29)
InChIKeyDHQOLUOBJVSKAI-UHFFFAOYSA-N
XLogP4.58
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 86292237) is 6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine is Clc1cnc2[nH]c(C3CCCNC3)cc2c1-c1cccc(NCC2CCOCC2)n1.
What is the InChIKey of 6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is DHQOLUOBJVSKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O/c24-18-14-27-23-17(11-20(29-23)16-3-2-8-25-13-16)22(18)19-4-1-5-21(28-19)26-12-15-6-9-30-10-7-15/h1,4-5,11,14-16,25H,2-3,6-10,12-13H2,(H,26,28)(H,27,29).
What are the key properties of 6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 425.96 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 86292237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).