[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone

C48H54Cl2F3N11O5 — CID 145315935

IUPAC[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone
SMILESO=C(c1cnn(C(=O)N2CC3CN(Cc4cc(C5CC5N5CCN(C(=O)c6cnn(C(=O)N7CC8CN(Cc9cc(Cl)ccc9Cl)CC8C7)c6)CC5)cc(C(F)(F)F)c4)CC3C2)c1)N1CCOCC1
InChIInChI=1S/C48H54Cl2F3N11O5/c49-40-1-2-42(50)32(14-40)19-57-22-37-26-62(27-38(37)23-57)47(68)63-28-33(16-54-63)44(65)59-5-3-58(4-6-59)43-15-41(43)31-11-30(12-39(13-31)48(51,52)53)18-56-20-35-24-61(25-36(35)21-56)46(67)64-29-34(17-55-64)45(66)60-7-9-69-10-8-60/h1-2,11-14,16-17,28-29,35-38,41,43H,3-10,15,18-27H2
InChIKeyQVQOUUXBPJVQGH-UHFFFAOYSA-N
MW992.93 g/mol
LogP5.26
Rot. Bonds8

About [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone

[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone (PubChem CID 145315935) has the molecular formula C48H54Cl2F3N11O5 and a molecular weight of 992.93 g/mol. Its IUPAC name is [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone
PubChem CID145315935
Molecular FormulaC48H54Cl2F3N11O5
Molecular Weight992.93 g/mol
Exact Mass991.36
IUPAC Name[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone
SMILESO=C(c1cnn(C(=O)N2CC3CN(Cc4cc(C5CC5N5CCN(C(=O)c6cnn(C(=O)N7CC8CN(Cc9cc(Cl)ccc9Cl)CC8C7)c6)CC5)cc(C(F)(F)F)c4)CC3C2)c1)N1CCOCC1
InChIInChI=1S/C48H54Cl2F3N11O5/c49-40-1-2-42(50)32(14-40)19-57-22-37-26-62(27-38(37)23-57)47(68)63-28-33(16-54-63)44(65)59-5-3-58(4-6-59)43-15-41(43)31-11-30(12-39(13-31)48(51,52)53)18-56-20-35-24-61(25-36(35)21-56)46(67)64-29-34(17-55-64)45(66)60-7-9-69-10-8-60/h1-2,11-14,16-17,28-29,35-38,41,43H,3-10,15,18-27H2
InChIKeyQVQOUUXBPJVQGH-UHFFFAOYSA-N
XLogP5.26
TPSA135.83 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500992.93
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

CID 145315884
CID 145315884
CID 145315921
CID 145315921
CID 157100311
CID 157100311
CID 157395598
CID 157395598
CID 158989409
CID 158989409
CID 162605508
CID 162605508
CID 145315883
CID 145315883
CID 145315885
CID 145315885

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone?
The IUPAC name of [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone (CID 145315935) is [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone is O=C(c1cnn(C(=O)N2CC3CN(Cc4cc(C5CC5N5CCN(C(=O)c6cnn(C(=O)N7CC8CN(Cc9cc(Cl)ccc9Cl)CC8C7)c6)CC5)cc(C(F)(F)F)c4)CC3C2)c1)N1CCOCC1.
What is the InChIKey of [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone?
The InChIKey is QVQOUUXBPJVQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54Cl2F3N11O5/c49-40-1-2-42(50)32(14-40)19-57-22-37-26-62(27-38(37)23-57)47(68)63-28-33(16-54-63)44(65)59-5-3-58(4-6-59)43-15-41(43)31-11-30(12-39(13-31)48(51,52)53)18-56-20-35-24-61(25-36(35)21-56)46(67)64-29-34(17-55-64)45(66)60-7-9-69-10-8-60/h1-2,11-14,16-17,28-29,35-38,41,43H,3-10,15,18-27H2.
What are the key properties of [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone?
[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone has a molecular weight of 992.93 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 145315935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).