(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

C16H17FN4O2 — CID 146712742

IUPAC(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CCOC2
InChIInChI=1S/C16H17FN4O2/c17-9-1-2-13-11(7-9)10(3-5-19-13)16(22)21-15(18)12-8-23-6-4-14(12)20-21/h1-2,7,10,19H,3-6,8,18H2
InChIKeyRCGTZUXOELYXAD-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.92
Rot. Bonds1

About (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 146712742) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID146712742
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CCOC2
InChIInChI=1S/C16H17FN4O2/c17-9-1-2-13-11(7-9)10(3-5-19-13)16(22)21-15(18)12-8-23-6-4-14(12)20-21/h1-2,7,10,19H,3-6,8,18H2
InChIKeyRCGTZUXOELYXAD-UHFFFAOYSA-N
XLogP1.92
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 146712742) is (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CCOC2.
What is the InChIKey of (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is RCGTZUXOELYXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-9-1-2-13-11(7-9)10(3-5-19-13)16(22)21-15(18)12-8-23-6-4-14(12)20-21/h1-2,7,10,19H,3-6,8,18H2.
What are the key properties of (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 316.34 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 146712742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).