[1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C16H23F3N4O2 — CID 45230348

IUPAC[1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCc3[nH]nc(CC(F)(F)F)c3C2)C1
InChIInChI=1S/C16H23F3N4O2/c1-25-7-6-22-4-2-11(9-22)15(24)23-5-3-13-12(10-23)14(21-20-13)8-16(17,18)19/h11H,2-10H2,1H3,(H,20,21)
InChIKeyNOUDMJYOZMIIST-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.37
Rot. Bonds5

About [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

[1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 45230348) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID45230348
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name[1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCc3[nH]nc(CC(F)(F)F)c3C2)C1
InChIInChI=1S/C16H23F3N4O2/c1-25-7-6-22-4-2-11(9-22)15(24)23-5-3-13-12(10-23)14(21-20-13)8-16(17,18)19/h11H,2-10H2,1H3,(H,20,21)
InChIKeyNOUDMJYOZMIIST-UHFFFAOYSA-N
XLogP1.37
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
5-Acetyl-4,5,6,7-tetrahydro-3-(trifluoromethyl)pyrazolo-[4,3-C]-pyridine
CID 57373291
2-Methyl-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 117684397
3,3,3-Trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 118489259
3,3,3-Trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 118491656
1-(3-Ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-one
CID 123528245
3,3,3-Trifluoro-1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
CID 131966425
[4-[(2Z,4Z)-4,5-difluoro-3-(trifluoromethyl)hexa-2,4-dien-2-yl]piperidin-1-yl]-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 142498965
Ethane;3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 144954934
3-(3,3-Difluoropyrrolidine-1-carbonyl)-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 173883247
Sdccgsbi-0114447.P001
CID 45229566

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 45230348) is [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is COCCN1CCC(C(=O)N2CCc3[nH]nc(CC(F)(F)F)c3C2)C1.
What is the InChIKey of [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is NOUDMJYOZMIIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-25-7-6-22-4-2-11(9-22)15(24)23-5-3-13-12(10-23)14(21-20-13)8-16(17,18)19/h11H,2-10H2,1H3,(H,20,21).
What are the key properties of [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
[1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 360.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrrolidin-3-yl]-[3-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 45230348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).