6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one

C24H21ClN6O3 — CID 46896809

IUPAC6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1c2nn(Cc3ccc(-n4cccn4)cc3)c3c(Cl)cccc3c-2nn1[C@@H]1CCOC[C@@H]1O
InChIInChI=1S/C24H21ClN6O3/c25-18-4-1-3-17-21-22(24(33)31(28-21)19-9-12-34-14-20(19)32)27-30(23(17)18)13-15-5-7-16(8-6-15)29-11-2-10-26-29/h1-8,10-11,19-20,32H,9,12-14H2/t19-,20+/m1/s1
InChIKeySSTGXUAKOYKURL-UXHICEINSA-N
MW476.92 g/mol
LogP2.91
Rot. Bonds4

About 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one

6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46896809) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID46896809
Molecular FormulaC24H21ClN6O3
Molecular Weight476.92 g/mol
Exact Mass476.14
IUPAC Name6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1c2nn(Cc3ccc(-n4cccn4)cc3)c3c(Cl)cccc3c-2nn1[C@@H]1CCOC[C@@H]1O
InChIInChI=1S/C24H21ClN6O3/c25-18-4-1-3-17-21-22(24(33)31(28-21)19-9-12-34-14-20(19)32)27-30(23(17)18)13-15-5-7-16(8-6-15)29-11-2-10-26-29/h1-8,10-11,19-20,32H,9,12-14H2/t19-,20+/m1/s1
InChIKeySSTGXUAKOYKURL-UXHICEINSA-N
XLogP2.91
TPSA99.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46896809) is 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one is O=c1c2nn(Cc3ccc(-n4cccn4)cc3)c3c(Cl)cccc3c-2nn1[C@@H]1CCOC[C@@H]1O.
What is the InChIKey of 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is SSTGXUAKOYKURL-UXHICEINSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c25-18-4-1-3-17-21-22(24(33)31(28-21)19-9-12-34-14-20(19)32)27-30(23(17)18)13-15-5-7-16(8-6-15)29-11-2-10-26-29/h1-8,10-11,19-20,32H,9,12-14H2/t19-,20+/m1/s1.
What are the key properties of 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 476.92 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46896809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).