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

C23H29ClN6 — CID 86291631

IUPAC5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1ccc(NCC2CCNCC2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C23H29ClN6/c24-19-1-2-21(28-14-15-3-8-25-9-4-15)30-22(19)17-7-12-27-23-18(17)13-20(29-23)16-5-10-26-11-6-16/h1-2,7,12-13,15-16,25-26H,3-6,8-11,14H2,(H,27,29)(H,28,30)
InChIKeyJXTUJSKNLLXUDZ-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.16
Rot. Bonds5

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

5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86291631) has the molecular formula C23H29ClN6 and a molecular weight of 424.98 g/mol. Its IUPAC name is 5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86291631
Molecular FormulaC23H29ClN6
Molecular Weight424.98 g/mol
Exact Mass424.21
IUPAC Name5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1ccc(NCC2CCNCC2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C23H29ClN6/c24-19-1-2-21(28-14-15-3-8-25-9-4-15)30-22(19)17-7-12-27-23-18(17)13-20(29-23)16-5-10-26-11-6-16/h1-2,7,12-13,15-16,25-26H,3-6,8-11,14H2,(H,27,29)(H,28,30)
InChIKeyJXTUJSKNLLXUDZ-UHFFFAOYSA-N
XLogP4.16
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86291631) is 5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is Clc1ccc(NCC2CCNCC2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12.
What is the InChIKey of 5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is JXTUJSKNLLXUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6/c24-19-1-2-21(28-14-15-3-8-25-9-4-15)30-22(19)17-7-12-27-23-18(17)13-20(29-23)16-5-10-26-11-6-16/h1-2,7,12-13,15-16,25-26H,3-6,8-11,14H2,(H,27,29)(H,28,30).
What are the key properties of 5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 424.98 g/mol, XLogP of 4.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(piperidin-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86291631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).