[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

C17H20F3N5O2 — CID 146093461

IUPAC[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)[C@H](C)O1
InChIInChI=1S/C17H20F3N5O2/c1-8-6-10-13(9(2)27-8)23-24(3)14(10)16(26)25-5-4-12-11(7-25)15(22-21-12)17(18,19)20/h8-9H,4-7H2,1-3H3,(H,21,22)/t8-,9+/m1/s1
InChIKeyMYFBNUGAONUGHI-BDAKNGLRSA-N
MW383.37 g/mol
LogP2.38
Rot. Bonds1

About [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (PubChem CID 146093461) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
PubChem CID146093461
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)[C@H](C)O1
InChIInChI=1S/C17H20F3N5O2/c1-8-6-10-13(9(2)27-8)23-24(3)14(10)16(26)25-5-4-12-11(7-25)15(22-21-12)17(18,19)20/h8-9H,4-7H2,1-3H3,(H,21,22)/t8-,9+/m1/s1
InChIKeyMYFBNUGAONUGHI-BDAKNGLRSA-N
XLogP2.38
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone with MolForge

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Related Compounds

ethyl 1-(3-methylbutyl)-5-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26140905
ethyl 5-[(3-isobutyl-1H-pyrazol-5-yl)carbonyl]-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26135171
ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26147727
ethyl 5-[(6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)carbonyl]-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26231840
ethyl 5-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 28312045
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 91829676
N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 124752386
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 124752387
5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 131688893
5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 131689096
N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 131689200
5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 131689233

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The IUPAC name of [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (CID 146093461) is [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The canonical SMILES for [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is C[C@@H]1Cc2c(nn(C)c2C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)[C@H](C)O1.
What is the InChIKey of [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The InChIKey is MYFBNUGAONUGHI-BDAKNGLRSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-8-6-10-13(9(2)27-8)23-24(3)14(10)16(26)25-5-4-12-11(7-25)15(22-21-12)17(18,19)20/h8-9H,4-7H2,1-3H3,(H,21,22)/t8-,9+/m1/s1.
What are the key properties of [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone has a molecular weight of 383.37 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is sourced from PubChem (CID 146093461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).