2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C34H38FN7OS — CID 155413233

IUPAC2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)CC1(c2ccc(-c3cc(C)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3C)cc2)CC1
InChIInChI=1S/C34H38FN7OS/c1-5-40(6-2)19-34(11-12-34)24-9-7-23(8-10-24)26-15-21(3)27-18-42(39-29(27)22(26)4)31(32(43)38-33-36-13-14-44-33)30-28-16-25(35)17-41(28)20-37-30/h7-10,13-15,18,20,25,31H,5-6,11-12,16-17,19H2,1-4H3,(H,36,38,43)/t25-,31?/m1/s1
InChIKeyRBOHZCVOJZDCTF-KZQYXEPFSA-N
MW611.79 g/mol
LogP6.47
Rot. Bonds10

About 2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155413233) has the molecular formula C34H38FN7OS and a molecular weight of 611.79 g/mol. Its IUPAC name is 2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155413233
Molecular FormulaC34H38FN7OS
Molecular Weight611.79 g/mol
Exact Mass611.28
IUPAC Name2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)CC1(c2ccc(-c3cc(C)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3C)cc2)CC1
InChIInChI=1S/C34H38FN7OS/c1-5-40(6-2)19-34(11-12-34)24-9-7-23(8-10-24)26-15-21(3)27-18-42(39-29(27)22(26)4)31(32(43)38-33-36-13-14-44-33)30-28-16-25(35)17-41(28)20-37-30/h7-10,13-15,18,20,25,31H,5-6,11-12,16-17,19H2,1-4H3,(H,36,38,43)/t25-,31?/m1/s1
InChIKeyRBOHZCVOJZDCTF-KZQYXEPFSA-N
XLogP6.47
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-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-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 155413233) is 2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-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-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CCN(CC)CC1(c2ccc(-c3cc(C)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3C)cc2)CC1.
What is the InChIKey of 2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RBOHZCVOJZDCTF-KZQYXEPFSA-N. The full InChI is InChI=1S/C34H38FN7OS/c1-5-40(6-2)19-34(11-12-34)24-9-7-23(8-10-24)26-15-21(3)27-18-42(39-29(27)22(26)4)31(32(43)38-33-36-13-14-44-33)30-28-16-25(35)17-41(28)20-37-30/h7-10,13-15,18,20,25,31H,5-6,11-12,16-17,19H2,1-4H3,(H,36,38,43)/t25-,31?/m1/s1.
What are the key properties of 2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 611.79 g/mol, XLogP of 6.47, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[1-(diethylaminomethyl)cyclopropyl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155413233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).