2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid

C18H22F3N3O4S — CID 155864453

IUPAC2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(COCC2OCCc3cn(CC4CC4)nc32)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N3O2S.C2HF3O2/c1-11-17-14(10-22-11)8-20-9-15-16-13(4-5-21-15)7-19(18-16)6-12-2-3-12;3-2(4,5)1(6)7/h7,10,12,15H,2-6,8-9H2,1H3;(H,6,7)
InChIKeyUKSAUMWCLZNZGF-UHFFFAOYSA-N
MW433.45 g/mol
LogP3.52
Rot. Bonds6

About 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid

2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid (PubChem CID 155864453) has the molecular formula C18H22F3N3O4S and a molecular weight of 433.45 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid
PubChem CID155864453
Molecular FormulaC18H22F3N3O4S
Molecular Weight433.45 g/mol
Exact Mass433.13
IUPAC Name2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(COCC2OCCc3cn(CC4CC4)nc32)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N3O2S.C2HF3O2/c1-11-17-14(10-22-11)8-20-9-15-16-13(4-5-21-15)7-19(18-16)6-12-2-3-12;3-2(4,5)1(6)7/h7,10,12,15H,2-6,8-9H2,1H3;(H,6,7)
InChIKeyUKSAUMWCLZNZGF-UHFFFAOYSA-N
XLogP3.52
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid (CID 155864453) is 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid is Cc1nc(COCC2OCCc3cn(CC4CC4)nc32)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid?
The InChIKey is UKSAUMWCLZNZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.C2HF3O2/c1-11-17-14(10-22-11)8-20-9-15-16-13(4-5-21-15)7-19(18-16)6-12-2-3-12;3-2(4,5)1(6)7/h7,10,12,15H,2-6,8-9H2,1H3;(H,6,7).
What are the key properties of 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid?
2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid has a molecular weight of 433.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155864453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).