[3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

C20H26FN5O — CID 146839019

IUPAC[3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC(C)CN1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
InChIInChI=1S/C20H26FN5O/c1-12(2)10-25-8-6-15-18(11-25)24-26(19(15)22)20(27)14-5-7-23-17-4-3-13(21)9-16(14)17/h3-4,9,12,14,23H,5-8,10-11,22H2,1-2H3
InChIKeySFRGKWFIDHLXHW-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.86
Rot. Bonds3

About [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

[3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 146839019) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID146839019
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name[3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC(C)CN1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
InChIInChI=1S/C20H26FN5O/c1-12(2)10-25-8-6-15-18(11-25)24-26(19(15)22)20(27)14-5-7-23-17-4-3-13(21)9-16(14)17/h3-4,9,12,14,23H,5-8,10-11,22H2,1-2H3
InChIKeySFRGKWFIDHLXHW-UHFFFAOYSA-N
XLogP2.86
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 146839019) is [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is CC(C)CN1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1.
What is the InChIKey of [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is SFRGKWFIDHLXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-12(2)10-25-8-6-15-18(11-25)24-26(19(15)22)20(27)14-5-7-23-17-4-3-13(21)9-16(14)17/h3-4,9,12,14,23H,5-8,10-11,22H2,1-2H3.
What are the key properties of [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
[3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 371.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 146839019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).