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

C30H28Cl2FN7O2S — CID 155413415

IUPAC2-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOC1CCN(Cc2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3Cl)cc2)C1
InChIInChI=1S/C30H28Cl2FN7O2S/c1-42-20-6-8-38(14-20)12-17-2-4-18(5-3-17)21-11-23(31)22-15-40(37-26(22)25(21)32)28(29(41)36-30-34-7-9-43-30)27-24-10-19(33)13-39(24)16-35-27/h2-5,7,9,11,15-16,19-20,28H,6,8,10,12-14H2,1H3,(H,34,36,41)/t19-,20?,28?/m1/s1
InChIKeyNMURWJWKEHTJAY-XECQOBAQSA-N
MW640.57 g/mol
LogP6.01
Rot. Bonds8

About 2-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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 155413415) has the molecular formula C30H28Cl2FN7O2S and a molecular weight of 640.57 g/mol. Its IUPAC name is 2-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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 CID155413415
Molecular FormulaC30H28Cl2FN7O2S
Molecular Weight640.57 g/mol
Exact Mass639.14
IUPAC Name2-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOC1CCN(Cc2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3Cl)cc2)C1
InChIInChI=1S/C30H28Cl2FN7O2S/c1-42-20-6-8-38(14-20)12-17-2-4-18(5-3-17)21-11-23(31)22-15-40(37-26(22)25(21)32)28(29(41)36-30-34-7-9-43-30)27-24-10-19(33)13-39(24)16-35-27/h2-5,7,9,11,15-16,19-20,28H,6,8,10,12-14H2,1H3,(H,34,36,41)/t19-,20?,28?/m1/s1
InChIKeyNMURWJWKEHTJAY-XECQOBAQSA-N
XLogP6.01
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.57
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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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Related Compounds

2-[4,7-dichloro-6-[4-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]phenyl]indazol-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 155414124
(2R)-2-[4,7-dichloro-6-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]phenyl]indazol-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 175730263
2-[4,7-dichloro-6-[4-(1-ethylazetidin-3-yl)phenyl]indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155414401
2-[4,7-dichloro-6-[4-[1-(4-hydroxybutan-2-yl)piperidin-4-yl]oxyphenyl]indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155414017
2-[4-[4,7-dichloro-2-[1-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]indazol-6-yl]phenyl]ethyl N-(2-methoxyethyl)carbamate
CID 155414404
2-[4,7-dichloro-6-[4-[(3R,4R)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]phenyl]indazol-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 155413455
[1-[4-[4,7-dichloro-2-[1-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]indazol-6-yl]phenyl]piperidin-4-yl]methyl methanesulfonate
CID 155413296
2-[4,7-dichloro-6-[4-[3-[3-[4-(hydroxymethyl)cyclohexyl]propyl]azetidin-1-yl]phenyl]indazol-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 155428590
2-[4,7-dichloro-6-[4-[1-(3-hydroxycyclobutyl)piperidin-4-yl]phenyl]indazol-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 155413945
2-[4,7-dichloro-6-[4-[4-(3-hydroxycyclobutyl)piperazin-1-yl]phenyl]indazol-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 155413463
2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 164945951
2-[4-[4,7-dichloro-2-[1-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]indazol-6-yl]-2-ethylphenoxy]ethylcarbamic acid
CID 155414024

Frequently Asked Questions

What is the IUPAC name of 2-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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 155413415) is 2-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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 COC1CCN(Cc2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3Cl)cc2)C1.
What is the InChIKey of 2-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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 NMURWJWKEHTJAY-XECQOBAQSA-N. The full InChI is InChI=1S/C30H28Cl2FN7O2S/c1-42-20-6-8-38(14-20)12-17-2-4-18(5-3-17)21-11-23(31)22-15-40(37-26(22)25(21)32)28(29(41)36-30-34-7-9-43-30)27-24-10-19(33)13-39(24)16-35-27/h2-5,7,9,11,15-16,19-20,28H,6,8,10,12-14H2,1H3,(H,34,36,41)/t19-,20?,28?/m1/s1.
What are the key properties of 2-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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-[4,7-dichloro-6-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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 640.57 g/mol, XLogP of 6.01, 8 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-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]indazol-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 155413415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).