(3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone

C17H17F3N4O2 — CID 155330687

IUPAC(3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3c1cccc3C(F)(F)F)COCC2
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-9-10(4-6-22-14(9)12)16(25)24-15(21)11-5-7-26-8-13(11)23-24/h1-3,10,22H,4-8,21H2
InChIKeyDHQVFVRXVJYJCE-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.80
Rot. Bonds1

About (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone

(3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone (PubChem CID 155330687) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone
PubChem CID155330687
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name(3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3c1cccc3C(F)(F)F)COCC2
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-9-10(4-6-22-14(9)12)16(25)24-15(21)11-5-7-26-8-13(11)23-24/h1-3,10,22H,4-8,21H2
InChIKeyDHQVFVRXVJYJCE-UHFFFAOYSA-N
XLogP2.80
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(1,2,3,4-tetrahydro-1,7-naphthyridin-4-yl)methanone
CID 155330777
(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
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-[(4S)-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]methanone;bis((3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone)
CID 165105284
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-[(4S)-8-chloro-1,2,3,4-tetrahydroquinolin-4-yl]methanone;bis((3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone);(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 159155318
benzyl N-[(5S)-3-amino-2-[(4R)-8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]-4,5,6,7-tetrahydroindazol-5-yl]carbamate;[(5S)-3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl]-[(4R)-8-methyl-1,2,3,4-tetrahydroquinolin-4-yl]methanone
CID 158290056
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
CID 145408187
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155330708
8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
CID 155316157
(8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone
CID 145408245
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155163383
7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid
CID 83860242
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 161235447

Frequently Asked Questions

What is the IUPAC name of (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone?
The IUPAC name of (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone (CID 155330687) is (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone.
What is the SMILES notation for (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone?
The canonical SMILES for (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone is Nc1c2c(nn1C(=O)C1CCNc3c1cccc3C(F)(F)F)COCC2.
What is the InChIKey of (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone?
The InChIKey is DHQVFVRXVJYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-9-10(4-6-22-14(9)12)16(25)24-15(21)11-5-7-26-8-13(11)23-24/h1-3,10,22H,4-8,21H2.
What are the key properties of (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone?
(3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone has a molecular weight of 366.34 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone is sourced from PubChem (CID 155330687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).