2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid

C23H24F3N5O3 — CID 174579090

IUPAC2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cccc2cn(-c3ccc(CN4CC5CCNC5C4)cc3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23N5O.C2HF3O2/c22-21(27)18-3-1-2-16-12-26(24-20(16)18)17-6-4-14(5-7-17)10-25-11-15-8-9-23-19(15)13-25;3-2(4,5)1(6)7/h1-7,12,15,19,23H,8-11,13H2,(H2,22,27);(H,6,7)
InChIKeyYQLDRGGCCIKXSE-UHFFFAOYSA-N
MW475.47 g/mol
LogP2.55
Rot. Bonds4

About 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid

2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 174579090) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID174579090
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cccc2cn(-c3ccc(CN4CC5CCNC5C4)cc3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23N5O.C2HF3O2/c22-21(27)18-3-1-2-16-12-26(24-20(16)18)17-6-4-14(5-7-17)10-25-11-15-8-9-23-19(15)13-25;3-2(4,5)1(6)7/h1-7,12,15,19,23H,8-11,13H2,(H2,22,27);(H,6,7)
InChIKeyYQLDRGGCCIKXSE-UHFFFAOYSA-N
XLogP2.55
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-[4-[(6-fluoro-1,4-diazepan-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171928768
2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 174684039
2-[4-[[(1-benzylpiperidin-3-yl)amino]methyl]phenyl]indazole-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171928974
2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide
CID 87362190
2-[4-[(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]phenyl]indazole-7-carboxamide
CID 87362155
2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171927230
2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171928955
2-[4-[[(1S,3S)-3-aminocyclopentanecarbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171931596
2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171932634
2-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]indazole-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171924063
2-[4-[[[(3S,4R)-3-benzyl-1-methylpiperidin-4-yl]amino]methyl]phenyl]indazole-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171930396
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
CID 118451760

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid (CID 174579090) is 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1cccc2cn(-c3ccc(CN4CC5CCNC5C4)cc3)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YQLDRGGCCIKXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C2HF3O2/c22-21(27)18-3-1-2-16-12-26(24-20(16)18)17-6-4-14(5-7-17)10-25-11-15-8-9-23-19(15)13-25;3-2(4,5)1(6)7/h1-7,12,15,19,23H,8-11,13H2,(H2,22,27);(H,6,7).
What are the key properties of 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 475.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174579090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).