1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H22N6O — CID 56913267

IUPAC1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(NCCCOc2cccnc2)c2cnn(C)c2n1
InChIInChI=1S/C17H22N6O/c1-12(2)15-21-16(14-11-20-23(3)17(14)22-15)19-8-5-9-24-13-6-4-7-18-10-13/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,19,21,22)
InChIKeyRKDCBSYFBPOXKW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds7

About 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56913267) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56913267
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(NCCCOc2cccnc2)c2cnn(C)c2n1
InChIInChI=1S/C17H22N6O/c1-12(2)15-21-16(14-11-20-23(3)17(14)22-15)19-8-5-9-24-13-6-4-7-18-10-13/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,19,21,22)
InChIKeyRKDCBSYFBPOXKW-UHFFFAOYSA-N
XLogP2.76
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56890560
1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95718925
1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56912182
1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70732300
N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide
CID 119067728
1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17453140
1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913154
1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95725455
3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine
CID 18433344
3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 62583458
N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707471

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 56913267) is 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)c1nc(NCCCOc2cccnc2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RKDCBSYFBPOXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12(2)15-21-16(14-11-20-23(3)17(14)22-15)19-8-5-9-24-13-6-4-7-18-10-13/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,19,21,22).
What are the key properties of 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56913267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).