N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide

C22H23FN6O3 — CID 167500840

IUPACN-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
SMILESCOCc1nc2c(F)cc(NC(=O)c3ccc(N4CCNCC4)c4cn(C)nc34)cc2o1
InChIInChI=1S/C22H23FN6O3/c1-28-11-15-17(29-7-5-24-6-8-29)4-3-14(20(15)27-28)22(30)25-13-9-16(23)21-18(10-13)32-19(26-21)12-31-2/h3-4,9-11,24H,5-8,12H2,1-2H3,(H,25,30)
InChIKeyPVSJDGZMUPXVGH-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.66
Rot. Bonds5

About N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide

N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide (PubChem CID 167500840) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
PubChem CID167500840
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC NameN-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
SMILESCOCc1nc2c(F)cc(NC(=O)c3ccc(N4CCNCC4)c4cn(C)nc34)cc2o1
InChIInChI=1S/C22H23FN6O3/c1-28-11-15-17(29-7-5-24-6-8-29)4-3-14(20(15)27-28)22(30)25-13-9-16(23)21-18(10-13)32-19(26-21)12-31-2/h3-4,9-11,24H,5-8,12H2,1-2H3,(H,25,30)
InChIKeyPVSJDGZMUPXVGH-UHFFFAOYSA-N
XLogP2.66
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide with MolForge

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Related Compounds

[6-[[2-ethyl-4-(4-methylpiperazin-1-yl)indazole-7-carbonyl]amino]-4-fluoro-1,3-benzoxazol-2-yl]methyl acetate
CID 167502033
2-ethyl-N-[4-fluoro-2-(hydroxymethyl)-1,3-benzoxazol-6-yl]-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501178
2-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167501947
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167501120
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(2R)-2-methoxypropyl]-4-piperazin-1-ylindazole-7-carboxamide
CID 167500934
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
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501617
N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167501050
N-(7-acetyl-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167501576
ethane;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxypropyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167502185

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide?
The IUPAC name of N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide (CID 167500840) is N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide is COCc1nc2c(F)cc(NC(=O)c3ccc(N4CCNCC4)c4cn(C)nc34)cc2o1.
What is the InChIKey of N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide?
The InChIKey is PVSJDGZMUPXVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-28-11-15-17(29-7-5-24-6-8-29)4-3-14(20(15)27-28)22(30)25-13-9-16(23)21-18(10-13)32-19(26-21)12-31-2/h3-4,9-11,24H,5-8,12H2,1-2H3,(H,25,30).
What are the key properties of N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide?
N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide is sourced from PubChem (CID 167500840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).