5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C23H26F4N4O3 — CID 167414333

IUPAC5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1F)c1cc2n(n1)CCN(CCOCC1CC1)C2
InChIInChI=1S/C23H26F4N4O3/c24-21-17-9-15(23(25,26)27)3-4-20(17)34-13-19(21)28-22(32)18-10-16-11-30(5-6-31(16)29-18)7-8-33-12-14-1-2-14/h3-4,9-10,14,19,21H,1-2,5-8,11-13H2,(H,28,32)/t19-,21?/m0/s1
InChIKeyUQUPATZFESHGCQ-ZQRQZVKFSA-N
MW482.48 g/mol
LogP3.35
Rot. Bonds7

About 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 167414333) has the molecular formula C23H26F4N4O3 and a molecular weight of 482.48 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID167414333
Molecular FormulaC23H26F4N4O3
Molecular Weight482.48 g/mol
Exact Mass482.19
IUPAC Name5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1F)c1cc2n(n1)CCN(CCOCC1CC1)C2
InChIInChI=1S/C23H26F4N4O3/c24-21-17-9-15(23(25,26)27)3-4-20(17)34-13-19(21)28-22(32)18-10-16-11-30(5-6-31(16)29-18)7-8-33-12-14-1-2-14/h3-4,9-10,14,19,21H,1-2,5-8,11-13H2,(H,28,32)/t19-,21?/m0/s1
InChIKeyUQUPATZFESHGCQ-ZQRQZVKFSA-N
XLogP3.35
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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US9957261, Example 8
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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 167414333) is 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1F)c1cc2n(n1)CCN(CCOCC1CC1)C2.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is UQUPATZFESHGCQ-ZQRQZVKFSA-N. The full InChI is InChI=1S/C23H26F4N4O3/c24-21-17-9-15(23(25,26)27)3-4-20(17)34-13-19(21)28-22(32)18-10-16-11-30(5-6-31(16)29-18)7-8-33-12-14-1-2-14/h3-4,9-10,14,19,21H,1-2,5-8,11-13H2,(H,28,32)/t19-,21?/m0/s1.
What are the key properties of 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 482.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 167414333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).