5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

C20H27F3N4O3S — CID 171696735

IUPAC5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCCOCC1c2c(cnn2CC2CC2)CCN1Cc1scnc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N4OS.C2HF3O2/c1-3-23-11-16-18-15(8-20-22(18)9-14-4-5-14)6-7-21(16)10-17-13(2)19-12-24-17;3-2(4,5)1(6)7/h8,12,14,16H,3-7,9-11H2,1-2H3;(H,6,7)
InChIKeyPMSBKFBUXIORLG-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.83
Rot. Bonds7

About 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 171696735) has the molecular formula C20H27F3N4O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID171696735
Molecular FormulaC20H27F3N4O3S
Molecular Weight460.52 g/mol
Exact Mass460.18
IUPAC Name5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCCOCC1c2c(cnn2CC2CC2)CCN1Cc1scnc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N4OS.C2HF3O2/c1-3-23-11-16-18-15(8-20-22(18)9-14-4-5-14)6-7-21(16)10-17-13(2)19-12-24-17;3-2(4,5)1(6)7/h8,12,14,16H,3-7,9-11H2,1-2H3;(H,6,7)
InChIKeyPMSBKFBUXIORLG-UHFFFAOYSA-N
XLogP3.83
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155850122
5-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 134072108
5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155845265
3-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 118745961
5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 97467866
6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 171695888
1-[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155862425
1-[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
CID 134072111
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone
CID 131639120
(3R,3aS,7aR)-3-methoxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 171694838
4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171695067
(4aS,7R,7aR)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 155832719

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 171696735) is 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is CCOCC1c2c(cnn2CC2CC2)CCN1Cc1scnc1C.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is PMSBKFBUXIORLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS.C2HF3O2/c1-3-23-11-16-18-15(8-20-22(18)9-14-4-5-14)6-7-21(16)10-17-13(2)19-12-24-17;3-2(4,5)1(6)7/h8,12,14,16H,3-7,9-11H2,1-2H3;(H,6,7).
What are the key properties of 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 460.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171696735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).