1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine

C19H19Cl2F2N5 — CID 154640337

IUPAC1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cc(C(F)F)c3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C19H19Cl2F2N5/c1-19(24)5-7-28(8-6-19)13-9-11(17(22)23)14-16(26-27-18(14)25-13)10-3-2-4-12(20)15(10)21/h2-4,9,17H,5-8,24H2,1H3,(H,25,26,27)
InChIKeyFZUICFZZCRRVPA-UHFFFAOYSA-N
MW426.30 g/mol
LogP5.19
Rot. Bonds3

About 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine

1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 154640337) has the molecular formula C19H19Cl2F2N5 and a molecular weight of 426.30 g/mol. Its IUPAC name is 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine
PubChem CID154640337
Molecular FormulaC19H19Cl2F2N5
Molecular Weight426.30 g/mol
Exact Mass425.10
IUPAC Name1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cc(C(F)F)c3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C19H19Cl2F2N5/c1-19(24)5-7-28(8-6-19)13-9-11(17(22)23)14-16(26-27-18(14)25-13)10-3-2-4-12(20)15(10)21/h2-4,9,17H,5-8,24H2,1H3,(H,25,26,27)
InChIKeyFZUICFZZCRRVPA-UHFFFAOYSA-N
XLogP5.19
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166923
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
(2-(3-Chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11711414
1-Tert-butyl-3-[(2,3-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864846
4-(4-Chlorobenzyl)-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)-piperidin-4-ylamine
CID 45142258
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine
CID 67162496
(4R)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine
CID 132167081
1-(2,6-Dichloro-4-pyridinyl)-3-[[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]urea
CID 168270200
1-(2,6-Dichloro-4-pyridinyl)-3-[[4-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]amino]urea
CID 168296010
US11312705, Example 15
CID 142426973
US11312705, Example 23
CID 142426982

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine (CID 154640337) is 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cc(C(F)F)c3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.
What is the InChIKey of 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine?
The InChIKey is FZUICFZZCRRVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F2N5/c1-19(24)5-7-28(8-6-19)13-9-11(17(22)23)14-16(26-27-18(14)25-13)10-3-2-4-12(20)15(10)21/h2-4,9,17H,5-8,24H2,1H3,(H,25,26,27).
What are the key properties of 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine?
1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 426.30 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dichlorophenyl)-4-(difluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 154640337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).