6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile

C18H17Cl2N7 — CID 154640320

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESCC1(N)CCN(c2cc(C#N)c3c(-c4ccnc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C18H17Cl2N7/c1-18(22)3-6-27(7-4-18)12-8-10(9-21)13-15(25-26-17(13)24-12)11-2-5-23-16(20)14(11)19/h2,5,8H,3-4,6-7,22H2,1H3,(H,24,25,26)
InChIKeyATTDACYSELGDAD-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.52
Rot. Bonds2

About 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile (PubChem CID 154640320) has the molecular formula C18H17Cl2N7 and a molecular weight of 402.29 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile
PubChem CID154640320
Molecular FormulaC18H17Cl2N7
Molecular Weight402.29 g/mol
Exact Mass401.09
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESCC1(N)CCN(c2cc(C#N)c3c(-c4ccnc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C18H17Cl2N7/c1-18(22)3-6-27(7-4-18)12-8-10(9-21)13-15(25-26-17(13)24-12)11-2-5-23-16(20)14(11)19/h2,5,8H,3-4,6-7,22H2,1H3,(H,24,25,26)
InChIKeyATTDACYSELGDAD-UHFFFAOYSA-N
XLogP3.52
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine
CID 154640341
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 154640321
1-[3-(5-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134379003
6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-dichloro-1-methylindazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 166070671
3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 150620641
6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 154640329
N-[6-(4-amino-4-methylpiperidin-1-yl)-3-(3-bromo-2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]formamide
CID 166652879
6-(4-amino-4-methylpiperidin-1-yl)-3-(3-bromo-2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 156805650
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 156805770
4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 145413056
6-[4-amino-4-(pyridin-4-ylmethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 156805669
6-[4-amino-4-(1,2,2-trifluoroethyl)piperidin-1-yl]-3-(7-chloro-2-methyl-1,3-benzothiazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 175339028

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile (CID 154640320) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile is CC1(N)CCN(c2cc(C#N)c3c(-c4ccnc(Cl)c4Cl)[nH]nc3n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile?
The InChIKey is ATTDACYSELGDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N7/c1-18(22)3-6-27(7-4-18)12-8-10(9-21)13-15(25-26-17(13)24-12)11-2-5-23-16(20)14(11)19/h2,5,8H,3-4,6-7,22H2,1H3,(H,24,25,26).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile?
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile has a molecular weight of 402.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile is sourced from PubChem (CID 154640320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).