3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C15H15N7 — CID 24905223

IUPAC3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3[nH]ncc3c2)c2c(N)ncnc21
InChIInChI=1S/C15H15N7/c1-8(2)22-15-12(14(16)17-7-18-15)13(21-22)9-3-4-11-10(5-9)6-19-20-11/h3-8H,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeySNHKARUQVBJTQS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.53
Rot. Bonds2

About 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905223) has the molecular formula C15H15N7 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905223
Molecular FormulaC15H15N7
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3[nH]ncc3c2)c2c(N)ncnc21
InChIInChI=1S/C15H15N7/c1-8(2)22-15-12(14(16)17-7-18-15)13(21-22)9-3-4-11-10(5-9)6-19-20-11/h3-8H,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeySNHKARUQVBJTQS-UHFFFAOYSA-N
XLogP2.53
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Rizatriptan
CID 5078
6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
Gsk-1070916
CID 46885626
Ly-2584702
CID 25118925
Ag-24322
CID 135413565
PP121
CID 24905142
Afimetoran
CID 132271862
Vebreltinib
CID 72202701
PF-04254644
CID 24871823
FR-180204
CID 11493598
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
4-(3-Methylphenyl)-6-[(1-Methylpyrazol-3-Yl)amino]-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86275848

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905223) is 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc3[nH]ncc3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SNHKARUQVBJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7/c1-8(2)22-15-12(14(16)17-7-18-15)13(21-22)9-3-4-11-10(5-9)6-19-20-11/h3-8H,1-2H3,(H,19,20)(H2,16,17,18).
What are the key properties of 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 293.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).