2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline

C20H16ClN5 — CID 108771574

IUPAC2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline
SMILESClc1cccc(-c2n[nH]c3c2CN(c2cnc4ccccc4n2)CC3)c1
InChIInChI=1S/C20H16ClN5/c21-14-5-3-4-13(10-14)20-15-12-26(9-8-16(15)24-25-20)19-11-22-17-6-1-2-7-18(17)23-19/h1-7,10-11H,8-9,12H2,(H,24,25)
InChIKeyREOYAZPNSWDZIE-UHFFFAOYSA-N
MW361.84 g/mol
LogP4.24
Rot. Bonds2

About 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline

2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline (PubChem CID 108771574) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline
PubChem CID108771574
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline
SMILESClc1cccc(-c2n[nH]c3c2CN(c2cnc4ccccc4n2)CC3)c1
InChIInChI=1S/C20H16ClN5/c21-14-5-3-4-13(10-14)20-15-12-26(9-8-16(15)24-25-20)19-11-22-17-6-1-2-7-18(17)23-19/h1-7,10-11H,8-9,12H2,(H,24,25)
InChIKeyREOYAZPNSWDZIE-UHFFFAOYSA-N
XLogP4.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline?
The IUPAC name of 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline (CID 108771574) is 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline?
The canonical SMILES for 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline is Clc1cccc(-c2n[nH]c3c2CN(c2cnc4ccccc4n2)CC3)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline?
The InChIKey is REOYAZPNSWDZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c21-14-5-3-4-13(10-14)20-15-12-26(9-8-16(15)24-25-20)19-11-22-17-6-1-2-7-18(17)23-19/h1-7,10-11H,8-9,12H2,(H,24,25).
What are the key properties of 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline?
2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline has a molecular weight of 361.84 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline is sourced from PubChem (CID 108771574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).