N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide

C20H19FN8O — CID 167500344

IUPACN-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide
SMILESCn1cc2cc(NC(=O)c3cnc(N4CCNCC4)c4ccnnc34)cc(F)c2n1
InChIInChI=1S/C20H19FN8O/c1-28-11-12-8-13(9-16(21)17(12)27-28)25-20(30)15-10-23-19(29-6-4-22-5-7-29)14-2-3-24-26-18(14)15/h2-3,8-11,22H,4-7H2,1H3,(H,25,30)
InChIKeyBKEJHZVWCHSKGC-UHFFFAOYSA-N
MW406.43 g/mol
LogP1.71
Rot. Bonds3

About N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide

N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide (PubChem CID 167500344) has the molecular formula C20H19FN8O and a molecular weight of 406.43 g/mol. Its IUPAC name is N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide
PubChem CID167500344
Molecular FormulaC20H19FN8O
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC NameN-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide
SMILESCn1cc2cc(NC(=O)c3cnc(N4CCNCC4)c4ccnnc34)cc(F)c2n1
InChIInChI=1S/C20H19FN8O/c1-28-11-12-8-13(9-16(21)17(12)27-28)25-20(30)15-10-23-19(29-6-4-22-5-7-29)14-2-3-24-26-18(14)15/h2-3,8-11,22H,4-7H2,1H3,(H,25,30)
InChIKeyBKEJHZVWCHSKGC-UHFFFAOYSA-N
XLogP1.71
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide with MolForge

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Related Compounds

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
CID 167501520
N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167500840
4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride
CID 172551798
tert-butyl 4-[4-amino-3-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]phenyl]piperazine-1-carboxylate
CID 156888251
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166522206
5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide
CID 166848046
tert-butyl (2S)-4-[4-ethoxy-5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 172551724
tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate
CID 172551800
3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one
CID 156888276
N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167501120
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 170747450
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[(3R)-3-piperazin-1-ylpyrrolidin-1-yl]indazole-7-carboxamide
CID 167501070

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide?
The IUPAC name of N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide (CID 167500344) is N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide.
What is the SMILES notation for N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide?
The canonical SMILES for N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide is Cn1cc2cc(NC(=O)c3cnc(N4CCNCC4)c4ccnnc34)cc(F)c2n1.
What is the InChIKey of N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide?
The InChIKey is BKEJHZVWCHSKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8O/c1-28-11-12-8-13(9-16(21)17(12)27-28)25-20(30)15-10-23-19(29-6-4-22-5-7-29)14-2-3-24-26-18(14)15/h2-3,8-11,22H,4-7H2,1H3,(H,25,30).
What are the key properties of N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide?
N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide is sourced from PubChem (CID 167500344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).