cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate

C34H37N5O5 — CID 155690842

IUPACcyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate
SMILESCC(C)n1cc(-c2ccc3c(c2)[C@H]([C@H](NC(=O)OC2CC2)C(=O)Nc2ccc(-c4cncn4C)c(O)c2)CCC3)ccc1=O
InChIInChI=1S/C34H37N5O5/c1-20(2)39-18-23(9-14-31(39)41)22-8-7-21-5-4-6-26(28(21)15-22)32(37-34(43)44-25-11-12-25)33(42)36-24-10-13-27(30(40)16-24)29-17-35-19-38(29)3/h7-10,13-20,25-26,32,40H,4-6,11-12H2,1-3H3,(H,36,42)(H,37,43)/t26-,32+/m1/s1
InChIKeyIEUKCKIAMWKNTE-DICHSLLOSA-N
MW595.70 g/mol
LogP5.52
Rot. Bonds8

About cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate

cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate (PubChem CID 155690842) has the molecular formula C34H37N5O5 and a molecular weight of 595.70 g/mol. Its IUPAC name is cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate
PubChem CID155690842
Molecular FormulaC34H37N5O5
Molecular Weight595.70 g/mol
Exact Mass595.28
IUPAC Namecyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate
SMILESCC(C)n1cc(-c2ccc3c(c2)[C@H]([C@H](NC(=O)OC2CC2)C(=O)Nc2ccc(-c4cncn4C)c(O)c2)CCC3)ccc1=O
InChIInChI=1S/C34H37N5O5/c1-20(2)39-18-23(9-14-31(39)41)22-8-7-21-5-4-6-26(28(21)15-22)32(37-34(43)44-25-11-12-25)33(42)36-24-10-13-27(30(40)16-24)29-17-35-19-38(29)3/h7-10,13-20,25-26,32,40H,4-6,11-12H2,1-3H3,(H,36,42)(H,37,43)/t26-,32+/m1/s1
InChIKeyIEUKCKIAMWKNTE-DICHSLLOSA-N
XLogP5.52
TPSA127.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.70
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate?
The IUPAC name of cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate (CID 155690842) is cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate.
What is the SMILES notation for cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate?
The canonical SMILES for cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate is CC(C)n1cc(-c2ccc3c(c2)[C@H]([C@H](NC(=O)OC2CC2)C(=O)Nc2ccc(-c4cncn4C)c(O)c2)CCC3)ccc1=O.
What is the InChIKey of cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate?
The InChIKey is IEUKCKIAMWKNTE-DICHSLLOSA-N. The full InChI is InChI=1S/C34H37N5O5/c1-20(2)39-18-23(9-14-31(39)41)22-8-7-21-5-4-6-26(28(21)15-22)32(37-34(43)44-25-11-12-25)33(42)36-24-10-13-27(30(40)16-24)29-17-35-19-38(29)3/h7-10,13-20,25-26,32,40H,4-6,11-12H2,1-3H3,(H,36,42)(H,37,43)/t26-,32+/m1/s1.
What are the key properties of cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate?
cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate has a molecular weight of 595.70 g/mol, XLogP of 5.52, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[(1S)-2-[3-hydroxy-4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[(1R)-7-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]carbamate is sourced from PubChem (CID 155690842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).