1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H14N6 — CID 866512

IUPAC1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1
InChIInChI=1S/C17H14N6/c1-2-6-14(7-3-1)23-17-15(11-22-23)16(20-12-21-17)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21)
InChIKeyFZEOPLZOHPTAGZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.82
Rot. Bonds4

About 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 866512) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID866512
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1
InChIInChI=1S/C17H14N6/c1-2-6-14(7-3-1)23-17-15(11-22-23)16(20-12-21-17)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21)
InChIKeyFZEOPLZOHPTAGZ-UHFFFAOYSA-N
XLogP2.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Riociguat
CID 11304743
Adipiplon
CID 11198924
Vactosertib
CID 54766013
PP121
CID 24905142
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
R121919
CID 9821250
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
Nelociguat
CID 11690019
Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 866512) is 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1.
What is the InChIKey of 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FZEOPLZOHPTAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-2-6-14(7-3-1)23-17-15(11-22-23)16(20-12-21-17)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21).
What are the key properties of 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 866512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).