N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine

C18H15ClFN7 — CID 139527626

IUPACN-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine
SMILESCN(c1cnc2c(-c3cccc(Cl)c3F)[nH]nc2n1)c1ncccc1CN
InChIInChI=1S/C18H15ClFN7/c1-27(18-10(8-21)4-3-7-22-18)13-9-23-16-15(25-26-17(16)24-13)11-5-2-6-12(19)14(11)20/h2-7,9H,8,21H2,1H3,(H,24,25,26)
InChIKeyQTCNNJMZTQVWHU-UHFFFAOYSA-N
MW383.82 g/mol
LogP3.43
Rot. Bonds4

About N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine

N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 139527626) has the molecular formula C18H15ClFN7 and a molecular weight of 383.82 g/mol. Its IUPAC name is N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID139527626
Molecular FormulaC18H15ClFN7
Molecular Weight383.82 g/mol
Exact Mass383.11
IUPAC NameN-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine
SMILESCN(c1cnc2c(-c3cccc(Cl)c3F)[nH]nc2n1)c1ncccc1CN
InChIInChI=1S/C18H15ClFN7/c1-27(18-10(8-21)4-3-7-22-18)13-9-23-16-15(25-26-17(16)24-13)11-5-2-6-12(19)14(11)20/h2-7,9H,8,21H2,1H3,(H,24,25,26)
InChIKeyQTCNNJMZTQVWHU-UHFFFAOYSA-N
XLogP3.43
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.82
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,2S)-2-N-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-2-N-methylcyclohexane-1,2-diamine
CID 138513705
[2-(aminomethyl)piperidin-1-yl]-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]methanone
CID 139527544
N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine
CID 158060360
N'-[3-(2-chloro-6-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N'-ethylpropane-1,3-diamine
CID 166992499
cis-(1R,2S)-2-N-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]cyclohexane-1,2-diamine
CID 138513830
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697
[1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CID 134379135
[3-[(3-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118927
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118931
5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 81266292
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine (CID 139527626) is N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine is CN(c1cnc2c(-c3cccc(Cl)c3F)[nH]nc2n1)c1ncccc1CN.
What is the InChIKey of N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is QTCNNJMZTQVWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN7/c1-27(18-10(8-21)4-3-7-22-18)13-9-23-16-15(25-26-17(16)24-13)11-5-2-6-12(19)14(11)20/h2-7,9H,8,21H2,1H3,(H,24,25,26).
What are the key properties of N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine?
N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 383.82 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 139527626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).