1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine

C24H25FN6 — CID 56605415

IUPAC1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(c3ncnc4c3cnn4Cc3ccccc3F)CC2)c1
InChIInChI=1S/C24H25FN6/c1-17-5-4-7-20(13-17)29-19-9-11-30(12-10-19)23-21-14-28-31(24(21)27-16-26-23)15-18-6-2-3-8-22(18)25/h2-8,13-14,16,19,29H,9-12,15H2,1H3
InChIKeyLKCOGVURIJFXIA-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.40
Rot. Bonds5

About 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine

1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine (PubChem CID 56605415) has the molecular formula C24H25FN6 and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine
PubChem CID56605415
Molecular FormulaC24H25FN6
Molecular Weight416.50 g/mol
Exact Mass416.21
IUPAC Name1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(c3ncnc4c3cnn4Cc3ccccc3F)CC2)c1
InChIInChI=1S/C24H25FN6/c1-17-5-4-7-20(13-17)29-19-9-11-30(12-10-19)23-21-14-28-31(24(21)27-16-26-23)15-18-6-2-3-8-22(18)25/h2-8,13-14,16,19,29H,9-12,15H2,1H3
InChIKeyLKCOGVURIJFXIA-UHFFFAOYSA-N
XLogP4.40
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine (CID 56605415) is 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine is Cc1cccc(NC2CCN(c3ncnc4c3cnn4Cc3ccccc3F)CC2)c1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine?
The InChIKey is LKCOGVURIJFXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6/c1-17-5-4-7-20(13-17)29-19-9-11-30(12-10-19)23-21-14-28-31(24(21)27-16-26-23)15-18-6-2-3-8-22(18)25/h2-8,13-14,16,19,29H,9-12,15H2,1H3.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine?
1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine has a molecular weight of 416.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 56605415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).