5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine

C18H20FN9O — CID 178015745

IUPAC5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine
SMILESCC1COCCN1c1nc2c(c(N)nn2-c2ccn[nH]2)c(-c2ccnn2C)c1F
InChIInChI=1S/C18H20FN9O/c1-10-9-29-8-7-27(10)18-15(19)13(11-3-6-22-26(11)2)14-16(20)25-28(17(14)23-18)12-4-5-21-24-12/h3-6,10H,7-9H2,1-2H3,(H2,20,25)(H,21,24)
InChIKeyDAGAKFZNIBBJDF-UHFFFAOYSA-N
MW397.42 g/mol
LogP1.49
Rot. Bonds3

About 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine

5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 178015745) has the molecular formula C18H20FN9O and a molecular weight of 397.42 g/mol. Its IUPAC name is 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine
PubChem CID178015745
Molecular FormulaC18H20FN9O
Molecular Weight397.42 g/mol
Exact Mass397.18
IUPAC Name5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine
SMILESCC1COCCN1c1nc2c(c(N)nn2-c2ccn[nH]2)c(-c2ccnn2C)c1F
InChIInChI=1S/C18H20FN9O/c1-10-9-29-8-7-27(10)18-15(19)13(11-3-6-22-26(11)2)14-16(20)25-28(17(14)23-18)12-4-5-21-24-12/h3-6,10H,7-9H2,1-2H3,(H2,20,25)(H,21,24)
InChIKeyDAGAKFZNIBBJDF-UHFFFAOYSA-N
XLogP1.49
TPSA115.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine with MolForge

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Related Compounds

3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
6-[(3R)-3-methylmorpholin-4-yl]-4-(3-oxaspiro[5.5]undecan-9-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178066154
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178066128
N-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 178015819
1-[3-amino-6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 178066142
(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine
CID 174179967
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine
CID 174205521
[3-(difluoromethoxy)-6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 176598529
2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid
CID 175729827
3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]morpholine
CID 155454334
N-methyl-6-(3-methylmorpholin-4-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178015789

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine (CID 178015745) is 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine is CC1COCCN1c1nc2c(c(N)nn2-c2ccn[nH]2)c(-c2ccnn2C)c1F.
What is the InChIKey of 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is DAGAKFZNIBBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN9O/c1-10-9-29-8-7-27(10)18-15(19)13(11-3-6-22-26(11)2)14-16(20)25-28(17(14)23-18)12-4-5-21-24-12/h3-6,10H,7-9H2,1-2H3,(H2,20,25)(H,21,24).
What are the key properties of 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine?
5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 397.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 178015745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).