N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide

C19H18F4N4O2 — CID 156650761

IUPACN-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(F)c3nn(C)c([C@](C)(O)C(F)(F)F)c3c2)c(C)cn1
InChIInChI=1S/C19H18F4N4O2/c1-9-8-24-15(25-10(2)28)7-12(9)11-5-13-16(14(20)6-11)26-27(4)17(13)18(3,29)19(21,22)23/h5-8,29H,1-4H3,(H,24,25,28)/t18-/m0/s1
InChIKeyAGUTWTKXVUVWHH-SFHVURJKSA-N
MW410.37 g/mol
LogP3.81
Rot. Bonds3

About N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide

N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide (PubChem CID 156650761) has the molecular formula C19H18F4N4O2 and a molecular weight of 410.37 g/mol. Its IUPAC name is N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide
PubChem CID156650761
Molecular FormulaC19H18F4N4O2
Molecular Weight410.37 g/mol
Exact Mass410.14
IUPAC NameN-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(F)c3nn(C)c([C@](C)(O)C(F)(F)F)c3c2)c(C)cn1
InChIInChI=1S/C19H18F4N4O2/c1-9-8-24-15(25-10(2)28)7-12(9)11-5-13-16(14(20)6-11)26-27(4)17(13)18(3,29)19(21,22)23/h5-8,29H,1-4H3,(H,24,25,28)/t18-/m0/s1
InChIKeyAGUTWTKXVUVWHH-SFHVURJKSA-N
XLogP3.81
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide with MolForge

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Related Compounds

1-[3-(2-fluoro-4-pyridinyl)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118168984
1-[(1S)-2-(difluoromethoxy)-1-phenylethyl]-3-[4-(hydroxymethyl)-3-(2-methylpyridin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118169008
N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118380826
1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(1,1,1-trifluoropropan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381030
US11673893, Example 76-1
CID 156136481
US11673893, Example 53
CID 156136487
US11673893, Example 74
CID 156136570
US11673893, Example 86
CID 156146439
1-[3-(2-hydroxypropan-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044876
US9884048, Example 295
CID 121416727
US11673893, Example 75
CID 156136562
US11673893, Example 76-2
CID 156136569

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide (CID 156650761) is N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(F)c3nn(C)c([C@](C)(O)C(F)(F)F)c3c2)c(C)cn1.
What is the InChIKey of N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide?
The InChIKey is AGUTWTKXVUVWHH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18F4N4O2/c1-9-8-24-15(25-10(2)28)7-12(9)11-5-13-16(14(20)6-11)26-27(4)17(13)18(3,29)19(21,22)23/h5-8,29H,1-4H3,(H,24,25,28)/t18-/m0/s1.
What are the key properties of N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide?
N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide has a molecular weight of 410.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 156650761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).