2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine

C19H20FN5 — CID 141189477

IUPAC2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine
SMILESFc1ccc2c(c1)C(c1ncnc3nn(C4CCCCC4)cc13)CN2
InChIInChI=1S/C19H20FN5/c20-12-6-7-17-14(8-12)15(9-21-17)18-16-10-25(13-4-2-1-3-5-13)24-19(16)23-11-22-18/h6-8,10-11,13,15,21H,1-5,9H2
InChIKeyVPFHLDFXSGYMPC-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.03
Rot. Bonds2

About 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine

2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine (PubChem CID 141189477) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine
PubChem CID141189477
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine
SMILESFc1ccc2c(c1)C(c1ncnc3nn(C4CCCCC4)cc13)CN2
InChIInChI=1S/C19H20FN5/c20-12-6-7-17-14(8-12)15(9-21-17)18-16-10-25(13-4-2-1-3-5-13)24-19(16)23-11-22-18/h6-8,10-11,13,15,21H,1-5,9H2
InChIKeyVPFHLDFXSGYMPC-UHFFFAOYSA-N
XLogP4.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine (CID 141189477) is 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine is Fc1ccc2c(c1)C(c1ncnc3nn(C4CCCCC4)cc13)CN2.
What is the InChIKey of 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is VPFHLDFXSGYMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c20-12-6-7-17-14(8-12)15(9-21-17)18-16-10-25(13-4-2-1-3-5-13)24-19(16)23-11-22-18/h6-8,10-11,13,15,21H,1-5,9H2.
What are the key properties of 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine?
2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 337.40 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 141189477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).