4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

C24H23F3N4O3 — CID 164971821

IUPAC4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESO=C(Cc1ccnc(C(=O)NC2(C(F)(F)F)CC2)c1)Cc1ccc2c(C3CCCO3)[nH]nc2c1
InChIInChI=1S/C24H23F3N4O3/c25-24(26,27)23(6-7-23)29-22(33)19-13-15(5-8-28-19)11-16(32)10-14-3-4-17-18(12-14)30-31-21(17)20-2-1-9-34-20/h3-5,8,12-13,20H,1-2,6-7,9-11H2,(H,29,33)(H,30,31)
InChIKeyDFNTVDVRUVRWER-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.99
Rot. Bonds7

About 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (PubChem CID 164971821) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
PubChem CID164971821
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESO=C(Cc1ccnc(C(=O)NC2(C(F)(F)F)CC2)c1)Cc1ccc2c(C3CCCO3)[nH]nc2c1
InChIInChI=1S/C24H23F3N4O3/c25-24(26,27)23(6-7-23)29-22(33)19-13-15(5-8-28-19)11-16(32)10-14-3-4-17-18(12-14)30-31-21(17)20-2-1-9-34-20/h3-5,8,12-13,20H,1-2,6-7,9-11H2,(H,29,33)(H,30,31)
InChIKeyDFNTVDVRUVRWER-UHFFFAOYSA-N
XLogP3.99
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 165059212
4-[3-(5-chloro-3,3-dimethyl-2-oxo-1-benzofuran-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 167681379
2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine
CID 68737386
4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 167580197
4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 161153250
2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide
CID 170160025
4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(4-cyanooxan-4-yl)pyridine-2-carboxamide
CID 158541890
4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
CID 136588223
N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 124949037
4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 158711552
4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyridine-2-carboxamide
CID 161450408
N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide
CID 124615597

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (CID 164971821) is 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is O=C(Cc1ccnc(C(=O)NC2(C(F)(F)F)CC2)c1)Cc1ccc2c(C3CCCO3)[nH]nc2c1.
What is the InChIKey of 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The InChIKey is DFNTVDVRUVRWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c25-24(26,27)23(6-7-23)29-22(33)19-13-15(5-8-28-19)11-16(32)10-14-3-4-17-18(12-14)30-31-21(17)20-2-1-9-34-20/h3-5,8,12-13,20H,1-2,6-7,9-11H2,(H,29,33)(H,30,31).
What are the key properties of 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-3-[3-(oxolan-2-yl)-2H-indazol-6-yl]propyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 164971821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).