N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C19H22N6 — CID 127441908

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CC(Nc2ncnc3c2cnn3-c2ccccc2)CN1C1CC1
InChIInChI=1S/C19H22N6/c1-13-9-14(11-24(13)15-7-8-15)23-18-17-10-22-25(19(17)21-12-20-18)16-5-3-2-4-6-16/h2-6,10,12-15H,7-9,11H2,1H3,(H,20,21,23)
InChIKeyYGDDYYFFKYYKHX-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.85
Rot. Bonds4

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 127441908) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID127441908
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CC(Nc2ncnc3c2cnn3-c2ccccc2)CN1C1CC1
InChIInChI=1S/C19H22N6/c1-13-9-14(11-24(13)15-7-8-15)23-18-17-10-22-25(19(17)21-12-20-18)16-5-3-2-4-6-16/h2-6,10,12-15H,7-9,11H2,1H3,(H,20,21,23)
InChIKeyYGDDYYFFKYYKHX-UHFFFAOYSA-N
XLogP2.85
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133399449
N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866420
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 154836519
N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133377862
5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406951
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine
CID 154866858
N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 119039236
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 133306905
N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 1390944
N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 133285646

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 127441908) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CC1CC(Nc2ncnc3c2cnn3-c2ccccc2)CN1C1CC1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YGDDYYFFKYYKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-13-9-14(11-24(13)15-7-8-15)23-18-17-10-22-25(19(17)21-12-20-18)16-5-3-2-4-6-16/h2-6,10,12-15H,7-9,11H2,1H3,(H,20,21,23).
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 127441908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).