[4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid

C28H26ClN5O4 — CID 130237803

IUPAC[4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid
SMILESCOC(=O)Nc1ccc(-c2cnc(C(CC3CC3)c3ccc(-c4cc(Cl)ccc4NC(=O)O)cn3)[nH]2)cc1
InChIInChI=1S/C28H26ClN5O4/c1-38-28(37)32-20-8-4-17(5-9-20)25-15-31-26(33-25)22(12-16-2-3-16)23-10-6-18(14-30-23)21-13-19(29)7-11-24(21)34-27(35)36/h4-11,13-16,22,34H,2-3,12H2,1H3,(H,31,33)(H,32,37)(H,35,36)
InChIKeyZISLUWREECBPRL-UHFFFAOYSA-N
MW532.00 g/mol
LogP6.99
Rot. Bonds8

About [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid

[4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid (PubChem CID 130237803) has the molecular formula C28H26ClN5O4 and a molecular weight of 532.00 g/mol. Its IUPAC name is [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid
PubChem CID130237803
Molecular FormulaC28H26ClN5O4
Molecular Weight532.00 g/mol
Exact Mass531.17
IUPAC Name[4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid
SMILESCOC(=O)Nc1ccc(-c2cnc(C(CC3CC3)c3ccc(-c4cc(Cl)ccc4NC(=O)O)cn3)[nH]2)cc1
InChIInChI=1S/C28H26ClN5O4/c1-38-28(37)32-20-8-4-17(5-9-20)25-15-31-26(33-25)22(12-16-2-3-16)23-10-6-18(14-30-23)21-13-19(29)7-11-24(21)34-27(35)36/h4-11,13-16,22,34H,2-3,12H2,1H3,(H,31,33)(H,32,37)(H,35,36)
InChIKeyZISLUWREECBPRL-UHFFFAOYSA-N
XLogP6.99
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.00
LogP ≤ 56.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid 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 [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid?
The IUPAC name of [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid (CID 130237803) is [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid.
What is the SMILES notation for [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid?
The canonical SMILES for [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid is COC(=O)Nc1ccc(-c2cnc(C(CC3CC3)c3ccc(-c4cc(Cl)ccc4NC(=O)O)cn3)[nH]2)cc1.
What is the InChIKey of [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid?
The InChIKey is ZISLUWREECBPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O4/c1-38-28(37)32-20-8-4-17(5-9-20)25-15-31-26(33-25)22(12-16-2-3-16)23-10-6-18(14-30-23)21-13-19(29)7-11-24(21)34-27(35)36/h4-11,13-16,22,34H,2-3,12H2,1H3,(H,31,33)(H,32,37)(H,35,36).
What are the key properties of [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid?
[4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid has a molecular weight of 532.00 g/mol, XLogP of 6.99, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[6-[2-cyclopropyl-1-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]ethyl]-3-pyridinyl]phenyl]carbamic acid is sourced from PubChem (CID 130237803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).