5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine

C21H26ClN5 — CID 164929988

IUPAC5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]c(C3CCNCC3)cc2c1-c1cnn(CC2CCCC2)c1
InChIInChI=1S/C21H26ClN5/c22-18-11-24-21-17(9-19(26-21)15-5-7-23-8-6-15)20(18)16-10-25-27(13-16)12-14-3-1-2-4-14/h9-11,13-15,23H,1-8,12H2,(H,24,26)
InChIKeyDZAWJFNPDTWPMI-UHFFFAOYSA-N
MW383.93 g/mol
LogP4.74
Rot. Bonds4

About 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine

5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 164929988) has the molecular formula C21H26ClN5 and a molecular weight of 383.93 g/mol. Its IUPAC name is 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID164929988
Molecular FormulaC21H26ClN5
Molecular Weight383.93 g/mol
Exact Mass383.19
IUPAC Name5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]c(C3CCNCC3)cc2c1-c1cnn(CC2CCCC2)c1
InChIInChI=1S/C21H26ClN5/c22-18-11-24-21-17(9-19(26-21)15-5-7-23-8-6-15)20(18)16-10-25-27(13-16)12-14-3-1-2-4-14/h9-11,13-15,23H,1-8,12H2,(H,24,26)
InChIKeyDZAWJFNPDTWPMI-UHFFFAOYSA-N
XLogP4.74
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 164929988) is 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is Clc1cnc2[nH]c(C3CCNCC3)cc2c1-c1cnn(CC2CCCC2)c1.
What is the InChIKey of 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DZAWJFNPDTWPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5/c22-18-11-24-21-17(9-19(26-21)15-5-7-23-8-6-15)20(18)16-10-25-27(13-16)12-14-3-1-2-4-14/h9-11,13-15,23H,1-8,12H2,(H,24,26).
What are the key properties of 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 383.93 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 164929988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).