4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]

C20H19ClN4 — CID 175824114

IUPAC4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]
SMILESClc1c(-c2ccc(-n3cccn3)cc2)cnc2c1C1(CCCC1)CN2
InChIInChI=1S/C20H19ClN4/c21-18-16(14-4-6-15(7-5-14)25-11-3-10-24-25)12-22-19-17(18)20(13-23-19)8-1-2-9-20/h3-7,10-12H,1-2,8-9,13H2,(H,22,23)
InChIKeyYCAJULRBZOSDEG-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.82
Rot. Bonds2

About 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]

4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane] (PubChem CID 175824114) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane].

Molecular Properties

Compound Name4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]
PubChem CID175824114
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]
SMILESClc1c(-c2ccc(-n3cccn3)cc2)cnc2c1C1(CCCC1)CN2
InChIInChI=1S/C20H19ClN4/c21-18-16(14-4-6-15(7-5-14)25-11-3-10-24-25)12-22-19-17(18)20(13-23-19)8-1-2-9-20/h3-7,10-12H,1-2,8-9,13H2,(H,22,23)
InChIKeyYCAJULRBZOSDEG-UHFFFAOYSA-N
XLogP4.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]?
The IUPAC name of 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane] (CID 175824114) is 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane].
What is the SMILES notation for 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]?
The canonical SMILES for 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane] is Clc1c(-c2ccc(-n3cccn3)cc2)cnc2c1C1(CCCC1)CN2.
What is the InChIKey of 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]?
The InChIKey is YCAJULRBZOSDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c21-18-16(14-4-6-15(7-5-14)25-11-3-10-24-25)12-22-19-17(18)20(13-23-19)8-1-2-9-20/h3-7,10-12H,1-2,8-9,13H2,(H,22,23).
What are the key properties of 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]?
4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane] has a molecular weight of 350.85 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-pyrazol-1-ylphenyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane] is sourced from PubChem (CID 175824114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).