5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid

C24H27F5N4O4 — CID 175150391

IUPAC5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid
SMILESC.NC(=O)c1cc(F)cc2cn(-c3ccc(NCC4(CO)CCCC4)c(F)c3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22F2N4O2.C2HF3O2.CH4/c22-14-7-13-10-27(26-19(13)16(8-14)20(24)29)15-3-4-18(17(23)9-15)25-11-21(12-28)5-1-2-6-21;3-2(4,5)1(6)7;/h3-4,7-10,25,28H,1-2,5-6,11-12H2,(H2,24,29);(H,6,7);1H4
InChIKeyCVVZHMVEFAFNOC-UHFFFAOYSA-N
MW530.49 g/mol
LogP4.64
Rot. Bonds6

About 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid

5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid (PubChem CID 175150391) has the molecular formula C24H27F5N4O4 and a molecular weight of 530.49 g/mol. Its IUPAC name is 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid
PubChem CID175150391
Molecular FormulaC24H27F5N4O4
Molecular Weight530.49 g/mol
Exact Mass530.20
IUPAC Name5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid
SMILESC.NC(=O)c1cc(F)cc2cn(-c3ccc(NCC4(CO)CCCC4)c(F)c3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22F2N4O2.C2HF3O2.CH4/c22-14-7-13-10-27(26-19(13)16(8-14)20(24)29)15-3-4-18(17(23)9-15)25-11-21(12-28)5-1-2-6-21;3-2(4,5)1(6)7;/h3-4,7-10,25,28H,1-2,5-6,11-12H2,(H2,24,29);(H,6,7);1H4
InChIKeyCVVZHMVEFAFNOC-UHFFFAOYSA-N
XLogP4.64
TPSA130.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.49
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methyl 2,2,2-trifluoroacetate
CID 175150389
5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide
CID 16750545
2-[4-[[1-(hydroxymethyl)cyclobutyl]methylamino]phenyl]indazole-7-carboxamide;methyl 2,2,2-trifluoroacetate
CID 175153645
3-fluoro-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 103968375
5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146556789
5-[4-(7-carbamoyl-5-fluoroindazol-2-yl)anilino]-4-(chloromethyl)-2-fluoro-5-oxopentanoic acid
CID 175155415
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171929392
2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide
CID 154588329
2-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]indazole-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171924063
5-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 24958203
2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171932634

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid (CID 175150391) is 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid is C.NC(=O)c1cc(F)cc2cn(-c3ccc(NCC4(CO)CCCC4)c(F)c3)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid?
The InChIKey is CVVZHMVEFAFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2.C2HF3O2.CH4/c22-14-7-13-10-27(26-19(13)16(8-14)20(24)29)15-3-4-18(17(23)9-15)25-11-21(12-28)5-1-2-6-21;3-2(4,5)1(6)7;/h3-4,7-10,25,28H,1-2,5-6,11-12H2,(H2,24,29);(H,6,7);1H4.
What are the key properties of 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid?
5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid has a molecular weight of 530.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-fluoro-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]phenyl]indazole-7-carboxamide;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175150391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).