4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide

C16H13FN8O — CID 52913284

IUPAC4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide
SMILESNC(=O)n1cc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)cn1
InChIInChI=1S/C16H13FN8O/c17-13-4-2-1-3-10(13)8-24-14-11(6-20-24)5-19-16(23-14)22-12-7-21-25(9-12)15(18)26/h1-7,9H,8H2,(H2,18,26)(H,19,22,23)
InChIKeyYJHMAOMVUNNQLQ-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.88
Rot. Bonds4

About 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide

4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide (PubChem CID 52913284) has the molecular formula C16H13FN8O and a molecular weight of 352.33 g/mol. Its IUPAC name is 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide
PubChem CID52913284
Molecular FormulaC16H13FN8O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide
SMILESNC(=O)n1cc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)cn1
InChIInChI=1S/C16H13FN8O/c17-13-4-2-1-3-10(13)8-24-14-11(6-20-24)5-19-16(23-14)22-12-7-21-25(9-12)15(18)26/h1-7,9H,8H2,(H2,18,26)(H,19,22,23)
InChIKeyYJHMAOMVUNNQLQ-UHFFFAOYSA-N
XLogP1.88
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]ethanol
CID 52914629
2-[3-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrrol-1-yl]ethanol
CID 67112289
2-[4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]imidazol-1-yl]ethanol
CID 52913851
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 52913622
1-[(2,3-dichlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 67113576
2-[[6-[(1-propan-2-ylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzonitrile
CID 52914279
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 52913738
2-[4-[[1-[(2-fluoro-5-morpholin-4-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]ethanol
CID 56932467
4-[2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one
CID 56932469
2-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzonitrile
CID 52914277
2-[[6-(1,2-oxazol-4-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzonitrile
CID 52914177
1-[3-[[6-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]but-3-en-2-one
CID 163840426

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide?
The IUPAC name of 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide (CID 52913284) is 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide.
What is the SMILES notation for 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide?
The canonical SMILES for 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide is NC(=O)n1cc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)cn1.
What is the InChIKey of 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide?
The InChIKey is YJHMAOMVUNNQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN8O/c17-13-4-2-1-3-10(13)8-24-14-11(6-20-24)5-19-16(23-14)22-12-7-21-25(9-12)15(18)26/h1-7,9H,8H2,(H2,18,26)(H,19,22,23).
What are the key properties of 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide?
4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazole-1-carboxamide is sourced from PubChem (CID 52913284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).