N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide

C17H17F3N4O2 — CID 171830319

IUPACN-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(C(F)(F)F)c2c(n1)CCc1cn[nH]c1-2
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-6-13(16(25)21-8-10-2-1-5-26-10)23-12-4-3-9-7-22-24-15(9)14(11)12/h6-7,10H,1-5,8H2,(H,21,25)(H,22,24)/t10-/m0/s1
InChIKeyDYTPGWRCNJUGMS-JTQLQIEISA-N
MW366.34 g/mol
LogP2.50
Rot. Bonds3

About N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide (PubChem CID 171830319) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide
PubChem CID171830319
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(C(F)(F)F)c2c(n1)CCc1cn[nH]c1-2
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-6-13(16(25)21-8-10-2-1-5-26-10)23-12-4-3-9-7-22-24-15(9)14(11)12/h6-7,10H,1-5,8H2,(H,21,25)(H,22,24)/t10-/m0/s1
InChIKeyDYTPGWRCNJUGMS-JTQLQIEISA-N
XLogP2.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide
CID 171830299
N-[[(2S)-oxolan-2-yl]methyl]-9-(trideuteriomethyl)-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide
CID 171830338
9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide
CID 171830285
2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365945
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103988
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide (CID 171830319) is N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc(C(F)(F)F)c2c(n1)CCc1cn[nH]c1-2.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide?
The InChIKey is DYTPGWRCNJUGMS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)11-6-13(16(25)21-8-10-2-1-5-26-10)23-12-4-3-9-7-22-24-15(9)14(11)12/h6-7,10H,1-5,8H2,(H,21,25)(H,22,24)/t10-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide is sourced from PubChem (CID 171830319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).