6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine

C23H16Cl2N8 — CID 146433574

IUPAC6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine
SMILESNc1nn(-c2ccc3cn[nH]c3c2)c2cc(-c3ccnn3Cc3ccc(Cl)cc3Cl)cnc12
InChIInChI=1S/C23H16Cl2N8/c24-16-3-1-14(18(25)8-16)12-32-20(5-6-29-32)15-7-21-22(27-10-15)23(26)31-33(21)17-4-2-13-11-28-30-19(13)9-17/h1-11H,12H2,(H2,26,31)(H,28,30)
InChIKeyZTSBSKOYWGNDHO-UHFFFAOYSA-N
MW475.34 g/mol
LogP5.10
Rot. Bonds4

About 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine

6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 146433574) has the molecular formula C23H16Cl2N8 and a molecular weight of 475.34 g/mol. Its IUPAC name is 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine
PubChem CID146433574
Molecular FormulaC23H16Cl2N8
Molecular Weight475.34 g/mol
Exact Mass474.09
IUPAC Name6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine
SMILESNc1nn(-c2ccc3cn[nH]c3c2)c2cc(-c3ccnn3Cc3ccc(Cl)cc3Cl)cnc12
InChIInChI=1S/C23H16Cl2N8/c24-16-3-1-14(18(25)8-16)12-32-20(5-6-29-32)15-7-21-22(27-10-15)23(26)31-33(21)17-4-2-13-11-28-30-19(13)9-17/h1-11H,12H2,(H2,26,31)(H,28,30)
InChIKeyZTSBSKOYWGNDHO-UHFFFAOYSA-N
XLogP5.10
TPSA103.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.34
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine (CID 146433574) is 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine is Nc1nn(-c2ccc3cn[nH]c3c2)c2cc(-c3ccnn3Cc3ccc(Cl)cc3Cl)cnc12.
What is the InChIKey of 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is ZTSBSKOYWGNDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N8/c24-16-3-1-14(18(25)8-16)12-32-20(5-6-29-32)15-7-21-22(27-10-15)23(26)31-33(21)17-4-2-13-11-28-30-19(13)9-17/h1-11H,12H2,(H2,26,31)(H,28,30).
What are the key properties of 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine?
6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 475.34 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 146433574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).