2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide

C28H27FN6O3 — CID 159421212

IUPAC2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
SMILESCC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)N(C)Cc3cc(C)[nH]n3)c2)NC(=O)C1
InChIInChI=1S/C28H27FN6O3/c1-15-8-25(37)31-27(26(15)24(36)11-17-4-7-23-19(10-17)13-30-34-23)18-5-6-22(29)21(12-18)28(38)35(3)14-20-9-16(2)32-33-20/h4-7,9-10,12-13,27H,8,11,14H2,1-3H3,(H,30,34)(H,31,37)(H,32,33)
InChIKeyLPUFIYGEVSABRW-UHFFFAOYSA-N
MW514.56 g/mol
LogP3.70
Rot. Bonds7

About 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide

2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide (PubChem CID 159421212) has the molecular formula C28H27FN6O3 and a molecular weight of 514.56 g/mol. Its IUPAC name is 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
PubChem CID159421212
Molecular FormulaC28H27FN6O3
Molecular Weight514.56 g/mol
Exact Mass514.21
IUPAC Name2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
SMILESCC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)N(C)Cc3cc(C)[nH]n3)c2)NC(=O)C1
InChIInChI=1S/C28H27FN6O3/c1-15-8-25(37)31-27(26(15)24(36)11-17-4-7-23-19(10-17)13-30-34-23)18-5-6-22(29)21(12-18)28(38)35(3)14-20-9-16(2)32-33-20/h4-7,9-10,12-13,27H,8,11,14H2,1-3H3,(H,30,34)(H,31,37)(H,32,33)
InChIKeyLPUFIYGEVSABRW-UHFFFAOYSA-N
XLogP3.70
TPSA123.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide with MolForge

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Related Compounds

1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
4-[3-[(2,6-difluorophenyl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888942
2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
(3-(3,3-dimethylbutyl)pyrrolidin-3-yl)(1H-indazol-5-yl)methanone
CID 49866041
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1H-pyrazole-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506360
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
CID 118888905
CID 118888905
2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide
CID 134540391
N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
CID 10469531
n-Phenyl-1h-indazole-5-carboxamide
CID 22933429
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide (CID 159421212) is 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide is CC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)N(C)Cc3cc(C)[nH]n3)c2)NC(=O)C1.
What is the InChIKey of 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
The InChIKey is LPUFIYGEVSABRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O3/c1-15-8-25(37)31-27(26(15)24(36)11-17-4-7-23-19(10-17)13-30-34-23)18-5-6-22(29)21(12-18)28(38)35(3)14-20-9-16(2)32-33-20/h4-7,9-10,12-13,27H,8,11,14H2,1-3H3,(H,30,34)(H,31,37)(H,32,33).
What are the key properties of 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide has a molecular weight of 514.56 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-[2-(1H-indazol-5-yl)acetyl]-4-methyl-6-oxo-2,5-dihydro-1H-pyridin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 159421212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).