7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile

C20H11ClF2N6O — CID 172525481

IUPAC7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESCc1c2c(nn1C(F)F)c(=O)n(-c1cccc3[nH]ncc13)c1cc(Cl)c(C#N)cc21
InChIInChI=1S/C20H11ClF2N6O/c1-9-17-11-5-10(7-24)13(21)6-16(11)28(19(30)18(17)27-29(9)20(22)23)15-4-2-3-14-12(15)8-25-26-14/h2-6,8,20H,1H3,(H,25,26)
InChIKeyIZRNWEJQAYFJPG-UHFFFAOYSA-N
MW424.80 g/mol
LogP4.45
Rot. Bonds2

About 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile

7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile (PubChem CID 172525481) has the molecular formula C20H11ClF2N6O and a molecular weight of 424.80 g/mol. Its IUPAC name is 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
PubChem CID172525481
Molecular FormulaC20H11ClF2N6O
Molecular Weight424.80 g/mol
Exact Mass424.07
IUPAC Name7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESCc1c2c(nn1C(F)F)c(=O)n(-c1cccc3[nH]ncc13)c1cc(Cl)c(C#N)cc21
InChIInChI=1S/C20H11ClF2N6O/c1-9-17-11-5-10(7-24)13(21)6-16(11)28(19(30)18(17)27-29(9)20(22)23)15-4-2-3-14-12(15)8-25-26-14/h2-6,8,20H,1H3,(H,25,26)
InChIKeyIZRNWEJQAYFJPG-UHFFFAOYSA-N
XLogP4.45
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.80
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile with MolForge

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Related Compounds

7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525485
7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525252
5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile
CID 172525347
7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525129
5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one
CID 141377745
4-chloro-1H-indazole-5-carbonitrile
CID 53399359
2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525479
5-chloro-2-oxo-1H-quinoline-3-carbonitrile
CID 139530349
5-(3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile
CID 146522286
1-(1H-indazol-4-yl)ethanethiol
CID 135200375
6-acetyl-1H-indazole-4-carbonitrile
CID 163708839
4-piperazin-1-yl-1H-indazole;hydrochloride
CID 131699602

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
The IUPAC name of 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile (CID 172525481) is 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile.
What is the SMILES notation for 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
The canonical SMILES for 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile is Cc1c2c(nn1C(F)F)c(=O)n(-c1cccc3[nH]ncc13)c1cc(Cl)c(C#N)cc21.
What is the InChIKey of 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
The InChIKey is IZRNWEJQAYFJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF2N6O/c1-9-17-11-5-10(7-24)13(21)6-16(11)28(19(30)18(17)27-29(9)20(22)23)15-4-2-3-14-12(15)8-25-26-14/h2-6,8,20H,1H3,(H,25,26).
What are the key properties of 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile has a molecular weight of 424.80 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile is sourced from PubChem (CID 172525481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).