N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide

C26H36N4O4 — CID 56618388

IUPACN-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)C2C(=O)C2c2ccccc2)n(C)n1
InChIInChI=1S/C26H36N4O4/c1-14(2)12-18(27-26(34)19-13-16(5)29-30(19)6)25(33)28-22(15(3)4)24(32)21-20(23(21)31)17-10-8-7-9-11-17/h7-11,13-15,18,20-22,24,32H,12H2,1-6H3,(H,27,34)(H,28,33)/t18-,20?,21?,22-,24?/m0/s1
InChIKeyXFXIRGXZSDFFAW-CYSHMIKBSA-N
MW468.60 g/mol
LogP2.36
Rot. Bonds10

About N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 56618388) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID56618388
Molecular FormulaC26H36N4O4
Molecular Weight468.60 g/mol
Exact Mass468.27
IUPAC NameN-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)C2C(=O)C2c2ccccc2)n(C)n1
InChIInChI=1S/C26H36N4O4/c1-14(2)12-18(27-26(34)19-13-16(5)29-30(19)6)25(33)28-22(15(3)4)24(32)21-20(23(21)31)17-10-8-7-9-11-17/h7-11,13-15,18,20-22,24,32H,12H2,1-6H3,(H,27,34)(H,28,33)/t18-,20?,21?,22-,24?/m0/s1
InChIKeyXFXIRGXZSDFFAW-CYSHMIKBSA-N
XLogP2.36
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 56618388) is N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)C2C(=O)C2c2ccccc2)n(C)n1.
What is the InChIKey of N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is XFXIRGXZSDFFAW-CYSHMIKBSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-14(2)12-18(27-26(34)19-13-16(5)29-30(19)6)25(33)28-22(15(3)4)24(32)21-20(23(21)31)17-10-8-7-9-11-17/h7-11,13-15,18,20-22,24,32H,12H2,1-6H3,(H,27,34)(H,28,33)/t18-,20?,21?,22-,24?/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 2.36, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 56618388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).