N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide

C22H17FN4O2 — CID 87828420

IUPACN-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide
SMILESCC(=O)n1nc(-c2ccc(F)cc2)c2cc(N(C=O)Cc3ccncc3)ccc21
InChIInChI=1S/C22H17FN4O2/c1-15(29)27-21-7-6-19(26(14-28)13-16-8-10-24-11-9-16)12-20(21)22(25-27)17-2-4-18(23)5-3-17/h2-12,14H,13H2,1H3
InChIKeyQTXPZIJHVSBJIE-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.06
Rot. Bonds5

About N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide

N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide (PubChem CID 87828420) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide.

Molecular Properties

Compound NameN-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide
PubChem CID87828420
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide
SMILESCC(=O)n1nc(-c2ccc(F)cc2)c2cc(N(C=O)Cc3ccncc3)ccc21
InChIInChI=1S/C22H17FN4O2/c1-15(29)27-21-7-6-19(26(14-28)13-16-8-10-24-11-9-16)12-20(21)22(25-27)17-2-4-18(23)5-3-17/h2-12,14H,13H2,1H3
InChIKeyQTXPZIJHVSBJIE-UHFFFAOYSA-N
XLogP4.06
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Nerispirdine
CID 3081185
FR-194921
CID 9821511
Nerispirdine hydrochloride
CID 9818503
1-[5-(1-Methyl-1H-indol-3-yl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 3722411
4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
4-(1-methyl-1H-indol-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205152
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-para-tolylpyridin-2(1H)-one
CID 25205153
4-(1-methyl-1H-indol-5-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205321
1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350684
1-(4-fluoro-3-methylphenyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350918
1-(3,4-difluorophenyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351035
2-[5-Fluoro-2-methyl-3-[[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]methyl]indol-1-yl]acetic acid
CID 57505196

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide?
The IUPAC name of N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide (CID 87828420) is N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide.
What is the SMILES notation for N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide?
The canonical SMILES for N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide is CC(=O)n1nc(-c2ccc(F)cc2)c2cc(N(C=O)Cc3ccncc3)ccc21.
What is the InChIKey of N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide?
The InChIKey is QTXPZIJHVSBJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-15(29)27-21-7-6-19(26(14-28)13-16-8-10-24-11-9-16)12-20(21)22(25-27)17-2-4-18(23)5-3-17/h2-12,14H,13H2,1H3.
What are the key properties of N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide?
N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide has a molecular weight of 388.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-3-(4-fluorophenyl)indazol-5-yl]-N-(pyridin-4-ylmethyl)formamide is sourced from PubChem (CID 87828420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).