3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine

C17H19FN6 — CID 177142704

IUPAC3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCn1nc(-c2cccc(F)c2)c2cnc(NC3CCNCC3)nc21
InChIInChI=1S/C17H19FN6/c1-24-16-14(15(23-24)11-3-2-4-12(18)9-11)10-20-17(22-16)21-13-5-7-19-8-6-13/h2-4,9-10,13,19H,5-8H2,1H3,(H,20,21,22)
InChIKeyRCRSTCHBHYCMSQ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.33
Rot. Bonds3

About 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine

3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 177142704) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID177142704
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCn1nc(-c2cccc(F)c2)c2cnc(NC3CCNCC3)nc21
InChIInChI=1S/C17H19FN6/c1-24-16-14(15(23-24)11-3-2-4-12(18)9-11)10-20-17(22-16)21-13-5-7-19-8-6-13/h2-4,9-10,13,19H,5-8H2,1H3,(H,20,21,22)
InChIKeyRCRSTCHBHYCMSQ-UHFFFAOYSA-N
XLogP2.33
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 172591502
1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine
CID 177143045
3-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11574648
5-fluoro-4-(7-phenylimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 135289915
N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine
CID 91297633
5-fluoro-4-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-N-piperidin-4-ylpyrimidin-2-amine
CID 172592365
N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 91274271
8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine
CID 148694328
9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
CID 177341135
4-N-[5-fluoro-4-(3-phenylphenyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 172590735
5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
CID 172591042

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine (CID 177142704) is 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine is Cn1nc(-c2cccc(F)c2)c2cnc(NC3CCNCC3)nc21.
What is the InChIKey of 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is RCRSTCHBHYCMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-24-16-14(15(23-24)11-3-2-4-12(18)9-11)10-20-17(22-16)21-13-5-7-19-8-6-13/h2-4,9-10,13,19H,5-8H2,1H3,(H,20,21,22).
What are the key properties of 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine?
3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 326.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 177142704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).