(2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

C22H24N4O — CID 56759223

IUPAC(2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C22H24N4O/c1-15(23)22(27)26-13-12-19-18(14-26)21(25-24-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,20H,12-14,23H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyQNLMELVPTNEIPY-OAHLLOKOSA-N
MW360.46 g/mol
LogP2.82
Rot. Bonds4

About (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

(2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one (PubChem CID 56759223) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
PubChem CID56759223
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C22H24N4O/c1-15(23)22(27)26-13-12-19-18(14-26)21(25-24-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,20H,12-14,23H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyQNLMELVPTNEIPY-OAHLLOKOSA-N
XLogP2.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide
CID 56745583
(2R)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenylethanone
CID 56754577
(2S)-2-amino-3,3-dimethyl-1-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 56747347
1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
CID 39834425
(2R)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-4-methylpentan-1-one
CID 95552162
N-[(2S)-3-methyl-1-oxo-1-[3-(phenylsulfanylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-2-yl]acetamide
CID 28909794
3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 119073052
2-[(2R)-2-aminopropanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104558998
3-(1H-indol-3-yl)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 50957558
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 56747001
(1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine
CID 82408779

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one (CID 56759223) is (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one is C[C@@H](N)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1.
What is the InChIKey of (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
The InChIKey is QNLMELVPTNEIPY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(23)22(27)26-13-12-19-18(14-26)21(25-24-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,20H,12-14,23H2,1H3,(H,24,25)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
(2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one has a molecular weight of 360.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 56759223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).