2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C27H33N5O4 — CID 22557107

IUPAC2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2=NN(Cc3ccccc3)C(=O)C2C1
InChIInChI=1S/C27H33N5O4/c1-27(2,28)26(35)29-23(18-36-17-20-11-7-4-8-12-20)25(34)31-14-13-22-21(16-31)24(33)32(30-22)15-19-9-5-3-6-10-19/h3-12,21,23H,13-18,28H2,1-2H3,(H,29,35)
InChIKeyVORMWMGYFAUASK-UHFFFAOYSA-N
MW491.59 g/mol
LogP1.67
Rot. Bonds9

About 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 22557107) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
PubChem CID22557107
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2=NN(Cc3ccccc3)C(=O)C2C1
InChIInChI=1S/C27H33N5O4/c1-27(2,28)26(35)29-23(18-36-17-20-11-7-4-8-12-20)25(34)31-14-13-22-21(16-31)24(33)32(30-22)15-19-9-5-3-6-10-19/h3-12,21,23H,13-18,28H2,1-2H3,(H,29,35)
InChIKeyVORMWMGYFAUASK-UHFFFAOYSA-N
XLogP1.67
TPSA117.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 22557151
2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 22988014
2-amino-N-[1-[3-[(2,2-diphenylacetyl)amino]pyrrolidin-1-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 21222112
2-amino-2-methyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-2-yl]propanamide;hydrochloride
CID 19030521
2-amino-2-methyl-N-[1-oxo-3-phenylmethoxy-1-[3-(N-(2,2,2-trifluoroacetyl)anilino)pyrrolidin-1-yl]propan-2-yl]propanamide
CID 87951351
N-[(2R)-1-(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide
CID 18391290
N-[1-(3a-benzyl-2-methyl-3-oxo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide;ethane;methanol
CID 90685315
N-[(2R)-1-[(3aS)-3a-benzyl-2-methyl-3-oxo-4,6,7,7a-tetrahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide
CID 59904427
N-[(2R)-1-[(3aS)-3a-benzyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide;hydrochloride
CID 23377717
N-[1-(3a-benzyl-2-tert-butyl-3-oxo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide;methanesulfonic acid
CID 22557125
2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride
CID 22867367
2-amino-2-methyl-N-[(2R)-1-[7-(methylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 18391279

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 22557107) is 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2=NN(Cc3ccccc3)C(=O)C2C1.
What is the InChIKey of 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The InChIKey is VORMWMGYFAUASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-27(2,28)26(35)29-23(18-36-17-20-11-7-4-8-12-20)25(34)31-14-13-22-21(16-31)24(33)32(30-22)15-19-9-5-3-6-10-19/h3-12,21,23H,13-18,28H2,1-2H3,(H,29,35).
What are the key properties of 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 491.59 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 22557107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).