1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine

C16H16N6O — CID 155784348

IUPAC1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Oc1cc(C3CC3)ccn1)nn2C1CC1
InChIInChI=1S/C16H16N6O/c17-14-13-15(20-8-19-14)22(11-3-4-11)21-16(13)23-12-7-10(5-6-18-12)9-1-2-9/h5-9,11H,1-4H2,(H2,17,19,20)
InChIKeyGSCPMMTXFVGNBJ-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.81
Rot. Bonds4

About 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 155784348) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID155784348
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Oc1cc(C3CC3)ccn1)nn2C1CC1
InChIInChI=1S/C16H16N6O/c17-14-13-15(20-8-19-14)22(11-3-4-11)21-16(13)23-12-7-10(5-6-18-12)9-1-2-9/h5-9,11H,1-4H2,(H2,17,19,20)
InChIKeyGSCPMMTXFVGNBJ-UHFFFAOYSA-N
XLogP2.81
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(1-Methyl-1h-Pyrazol-4-Yl)methyl]-5-{[(1s,2s)-2-(Pyridin-2-Yl)cyclopropyl]methoxy}pyrazolo[1,5-A]pyrimidin-7-Amine
CID 76903477
US11518761, Example 54
CID 156009949
1-[4-(Methylamino)cyclohexyl]-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine
CID 156012832
Pyrazolo[1,5-a]-1,3,5-triazine, 13-12
CID 42618218
Pyrazolo[1,5-a]-1,3,5-triazine, 13-13
CID 42618219
4-[(1E)-(2-{1-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydrazin-1-ylidene)methyl]pyridine
CID 91895683
dorsomorphin (91E)
CID 50997746
2-methoxy-6-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyridine
CID 90829409
4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91038379
4-[(1E)-{2-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91582777
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866545
Sdccggsk-0000197.P001
CID 9604911

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine (CID 155784348) is 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(Oc1cc(C3CC3)ccn1)nn2C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GSCPMMTXFVGNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-14-13-15(20-8-19-14)22(11-3-4-11)21-16(13)23-12-7-10(5-6-18-12)9-1-2-9/h5-9,11H,1-4H2,(H2,17,19,20).
What are the key properties of 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 308.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-cyclopropyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155784348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).