2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide

C15H22F3N5O2 — CID 166392668

IUPAC2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide
SMILESCC(C)C[C@H](NC(=O)CN)C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C15H22F3N5O2/c1-8(2)5-11(20-12(24)6-19)14(25)23-4-3-10-9(7-23)13(22-21-10)15(16,17)18/h8,11H,3-7,19H2,1-2H3,(H,20,24)(H,21,22)/t11-/m0/s1
InChIKeyLNFUJCRNSNQMTN-NSHDSACASA-N
MW361.37 g/mol
LogP0.80
Rot. Bonds5

About 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide

2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide (PubChem CID 166392668) has the molecular formula C15H22F3N5O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide
PubChem CID166392668
Molecular FormulaC15H22F3N5O2
Molecular Weight361.37 g/mol
Exact Mass361.17
IUPAC Name2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide
SMILESCC(C)C[C@H](NC(=O)CN)C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C15H22F3N5O2/c1-8(2)5-11(20-12(24)6-19)14(25)23-4-3-10-9(7-23)13(22-21-10)15(16,17)18/h8,11H,3-7,19H2,1-2H3,(H,20,24)(H,21,22)/t11-/m0/s1
InChIKeyLNFUJCRNSNQMTN-NSHDSACASA-N
XLogP0.80
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide (CID 166392668) is 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide is CC(C)C[C@H](NC(=O)CN)C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide?
The InChIKey is LNFUJCRNSNQMTN-NSHDSACASA-N. The full InChI is InChI=1S/C15H22F3N5O2/c1-8(2)5-11(20-12(24)6-19)14(25)23-4-3-10-9(7-23)13(22-21-10)15(16,17)18/h8,11H,3-7,19H2,1-2H3,(H,20,24)(H,21,22)/t11-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide?
2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide has a molecular weight of 361.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide is sourced from PubChem (CID 166392668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).