5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine

C16H16N4 — CID 171783955

IUPAC5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine
SMILESCn1ncc2c(-c3ccc4c(c3N)CCC4)ccnc21
InChIInChI=1S/C16H16N4/c1-20-16-14(9-19-20)12(7-8-18-16)13-6-5-10-3-2-4-11(10)15(13)17/h5-9H,2-4,17H2,1H3
InChIKeyFAXNMXPGUSGIAR-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.71
Rot. Bonds1

About 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine

5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 171783955) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine
PubChem CID171783955
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine
SMILESCn1ncc2c(-c3ccc4c(c3N)CCC4)ccnc21
InChIInChI=1S/C16H16N4/c1-20-16-14(9-19-20)12(7-8-18-16)13-6-5-10-3-2-4-11(10)15(13)17/h5-9H,2-4,17H2,1H3
InChIKeyFAXNMXPGUSGIAR-UHFFFAOYSA-N
XLogP2.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
PF-04254644
CID 24871823
3MB-PP1
CID 24865390
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882195
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905144
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
CID 4877
1-(1,1-Dimethylethyl)-3-(1-naphthalenylmethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 5154691
1-Tert-Butyl-3-Naphthalen-2-Yl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 5059890
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine (CID 171783955) is 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine is Cn1ncc2c(-c3ccc4c(c3N)CCC4)ccnc21.
What is the InChIKey of 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is FAXNMXPGUSGIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20-16-14(9-19-20)12(7-8-18-16)13-6-5-10-3-2-4-11(10)15(13)17/h5-9H,2-4,17H2,1H3.
What are the key properties of 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine?
5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 264.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 171783955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).