8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C17H19F3N6O — CID 45139614

IUPAC8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C17H19F3N6O/c18-17(19,20)8-26-14-11(13(25-26)15(21)27)6-5-9-7-22-16(24-12(9)14)23-10-3-1-2-4-10/h7,10H,1-6,8H2,(H2,21,27)(H,22,23,24)
InChIKeyRMWMYMKOIOFLED-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.45
Rot. Bonds4

About 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45139614) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45139614
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC Name8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C17H19F3N6O/c18-17(19,20)8-26-14-11(13(25-26)15(21)27)6-5-9-7-22-16(24-12(9)14)23-10-3-1-2-4-10/h7,10H,1-6,8H2,(H2,21,27)(H,22,23,24)
InChIKeyRMWMYMKOIOFLED-UHFFFAOYSA-N
XLogP2.45
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide with MolForge

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Related Compounds

Pyrazolo[4,3-h]quinazoline-3-carboxamide, 22
CID 44235885
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 24
CID 44235886
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 20
CID 11486283
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 23
CID 44232694
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 27
CID 44235888
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 35
CID 44236110
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 16
CID 44236353
8-anilino-N-(2-hydroxyethyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 44236354
1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoethyl)phenylamino)-N-((2-methylpyridin-4-yl)methyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 46911003
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 21
CID 44232693
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 34
CID 44232698
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 39
CID 44232940

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45139614) is 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is NC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(NC3CCCC3)nc1-2.
What is the InChIKey of 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is RMWMYMKOIOFLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c18-17(19,20)8-26-14-11(13(25-26)15(21)27)6-5-9-7-22-16(24-12(9)14)23-10-3-1-2-4-10/h7,10H,1-6,8H2,(H2,21,27)(H,22,23,24).
What are the key properties of 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45139614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).