2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C30H30Cl2N8OS — CID 155413339

IUPAC2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN1CCN(c2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5CCC6)nc4c3Cl)cc2)CC1
InChIInChI=1S/C30H30Cl2N8OS/c1-2-37-11-13-38(14-12-37)20-7-5-19(6-8-20)21-16-23(31)22-17-40(36-26(22)25(21)32)28(29(41)35-30-33-9-15-42-30)27-24-4-3-10-39(24)18-34-27/h5-9,15-18,28H,2-4,10-14H2,1H3,(H,33,35,41)
InChIKeyRSCHXEOUISWEEW-UHFFFAOYSA-N
MW621.60 g/mol
LogP5.98
Rot. Bonds7

About 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155413339) has the molecular formula C30H30Cl2N8OS and a molecular weight of 621.60 g/mol. Its IUPAC name is 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155413339
Molecular FormulaC30H30Cl2N8OS
Molecular Weight621.60 g/mol
Exact Mass620.16
IUPAC Name2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN1CCN(c2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5CCC6)nc4c3Cl)cc2)CC1
InChIInChI=1S/C30H30Cl2N8OS/c1-2-37-11-13-38(14-12-37)20-7-5-19(6-8-20)21-16-23(31)22-17-40(36-26(22)25(21)32)28(29(41)35-30-33-9-15-42-30)27-24-4-3-10-39(24)18-34-27/h5-9,15-18,28H,2-4,10-14H2,1H3,(H,33,35,41)
InChIKeyRSCHXEOUISWEEW-UHFFFAOYSA-N
XLogP5.98
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.60
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 155413339) is 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is CCN1CCN(c2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5CCC6)nc4c3Cl)cc2)CC1.
What is the InChIKey of 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RSCHXEOUISWEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N8OS/c1-2-37-11-13-38(14-12-37)20-7-5-19(6-8-20)21-16-23(31)22-17-40(36-26(22)25(21)32)28(29(41)35-30-33-9-15-42-30)27-24-4-3-10-39(24)18-34-27/h5-9,15-18,28H,2-4,10-14H2,1H3,(H,33,35,41).
What are the key properties of 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 621.60 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155413339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).