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

C24H23ClN4O — CID 86292045

IUPAC4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(OCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C24H23ClN4O/c25-20-6-7-22(30-15-16-4-2-1-3-5-16)29-23(20)18-10-13-27-24-19(18)14-21(28-24)17-8-11-26-12-9-17/h1-7,10,13-14,17,26H,8-9,11-12,15H2,(H,27,28)
InChIKeyWJAHZZJSUQDGQN-UHFFFAOYSA-N
MW418.93 g/mol
LogP5.32
Rot. Bonds5

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

4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 86292045) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID86292045
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(OCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C24H23ClN4O/c25-20-6-7-22(30-15-16-4-2-1-3-5-16)29-23(20)18-10-13-27-24-19(18)14-21(28-24)17-8-11-26-12-9-17/h1-7,10,13-14,17,26H,8-9,11-12,15H2,(H,27,28)
InChIKeyWJAHZZJSUQDGQN-UHFFFAOYSA-N
XLogP5.32
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 86292045) is 4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is Clc1ccc(OCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12.
What is the InChIKey of 4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WJAHZZJSUQDGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c25-20-6-7-22(30-15-16-4-2-1-3-5-16)29-23(20)18-10-13-27-24-19(18)14-21(28-24)17-8-11-26-12-9-17/h1-7,10,13-14,17,26H,8-9,11-12,15H2,(H,27,28).
What are the key properties of 4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 418.93 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-6-phenylmethoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 86292045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).