3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H19FN6O — CID 165397627

IUPAC3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3c(c1F)CCN3)nn2C1CCOCC1
InChIInChI=1S/C18H19FN6O/c19-15-11-3-6-21-13(11)2-1-12(15)16-14-17(20)22-9-23-18(14)25(24-16)10-4-7-26-8-5-10/h1-2,9-10,21H,3-8H2,(H2,20,22,23)
InChIKeyNZUHIZLZBXKWSE-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.53
Rot. Bonds2

About 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 165397627) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID165397627
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3c(c1F)CCN3)nn2C1CCOCC1
InChIInChI=1S/C18H19FN6O/c19-15-11-3-6-21-13(11)2-1-12(15)16-14-17(20)22-9-23-18(14)25(24-16)10-4-7-26-8-5-10/h1-2,9-10,21H,3-8H2,(H2,20,22,23)
InChIKeyNZUHIZLZBXKWSE-UHFFFAOYSA-N
XLogP2.53
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 165397659
3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162386398
3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126592360
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
3-(4-amino-3-fluorophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386267
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
3-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72695153
1-[4-(aminomethyl)cyclohexyl]-3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 66676261
3-[4-[3-fluoro-5-(pyrazin-2-ylmethoxy)phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 90075700
3-[2-fluoro-4-[3-fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694639
5-[4-amino-1-[(3S)-oxolan-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol
CID 24905317
3-(4-aminophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164854514

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 165397627) is 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc3c(c1F)CCN3)nn2C1CCOCC1.
What is the InChIKey of 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NZUHIZLZBXKWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c19-15-11-3-6-21-13(11)2-1-12(15)16-14-17(20)22-9-23-18(14)25(24-16)10-4-7-26-8-5-10/h1-2,9-10,21H,3-8H2,(H2,20,22,23).
What are the key properties of 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 354.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 165397627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).