4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine

C23H22ClN5O — CID 90411966

IUPAC4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(OCc2cccnc2)nc1-c1ccnc2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C23H22ClN5O/c24-19-5-6-21(30-14-15-3-1-8-25-12-15)29-22(19)17-7-10-27-23-18(17)11-20(28-23)16-4-2-9-26-13-16/h1,3,5-8,10-12,16,26H,2,4,9,13-14H2,(H,27,28)
InChIKeyHKIMRQWFGAKZQN-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.72
Rot. Bonds5

About 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine

4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90411966) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID90411966
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(OCc2cccnc2)nc1-c1ccnc2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C23H22ClN5O/c24-19-5-6-21(30-14-15-3-1-8-25-12-15)29-22(19)17-7-10-27-23-18(17)11-20(28-23)16-4-2-9-26-13-16/h1,3,5-8,10-12,16,26H,2,4,9,13-14H2,(H,27,28)
InChIKeyHKIMRQWFGAKZQN-UHFFFAOYSA-N
XLogP4.72
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 90411966) is 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine is Clc1ccc(OCc2cccnc2)nc1-c1ccnc2[nH]c(C3CCCNC3)cc12.
What is the InChIKey of 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HKIMRQWFGAKZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c24-19-5-6-21(30-14-15-3-1-8-25-12-15)29-22(19)17-7-10-27-23-18(17)11-20(28-23)16-4-2-9-26-13-16/h1,3,5-8,10-12,16,26H,2,4,9,13-14H2,(H,27,28).
What are the key properties of 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 419.92 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90411966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).