tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate

C26H30FN7O3 — CID 167501543

IUPACtert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4cn(C)nc34)c(F)cc2n1
InChIInChI=1S/C26H30FN7O3/c1-16-13-34-15-20(19(27)12-22(34)28-16)29-24(35)17-6-7-21(18-14-31(5)30-23(17)18)32-8-10-33(11-9-32)25(36)37-26(2,3)4/h6-7,12-15H,8-11H2,1-5H3,(H,29,35)
InChIKeyGOSSUXXCEYBUBU-UHFFFAOYSA-N
MW507.57 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate

tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate (PubChem CID 167501543) has the molecular formula C26H30FN7O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
PubChem CID167501543
Molecular FormulaC26H30FN7O3
Molecular Weight507.57 g/mol
Exact Mass507.24
IUPAC Nametert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4cn(C)nc34)c(F)cc2n1
InChIInChI=1S/C26H30FN7O3/c1-16-13-34-15-20(19(27)12-22(34)28-16)29-24(35)17-6-7-21(18-14-31(5)30-23(17)18)32-8-10-33(11-9-32)25(36)37-26(2,3)4/h6-7,12-15H,8-11H2,1-5H3,(H,29,35)
InChIKeyGOSSUXXCEYBUBU-UHFFFAOYSA-N
XLogP3.98
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
CID 167501943
N-(7-acetyl-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167501576
tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate
CID 167501698
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501617
tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]pyrrolidin-3-yl]carbamate
CID 167501370
tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
CID 175593388
tert-butyl 4-[2-[[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[1.1.1]pentanyl]methyl]-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]piperazine-1-carboxylate;hydrofluoride
CID 171854224
tert-butyl 4-[7-[(4-fluoro-2-methylindazol-6-yl)carbamoyl]-2-methyl-1-benzofuran-4-yl]piperazine-1-carboxylate
CID 166173811
tert-butyl 4-[8-[(8-acetyl-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate
CID 167500169
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)indazole-7-carboxamide
CID 167501845
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501954
tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate
CID 166522143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate (CID 167501543) is tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate is Cc1cn2cc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4cn(C)nc34)c(F)cc2n1.
What is the InChIKey of tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate?
The InChIKey is GOSSUXXCEYBUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O3/c1-16-13-34-15-20(19(27)12-22(34)28-16)29-24(35)17-6-7-21(18-14-31(5)30-23(17)18)32-8-10-33(11-9-32)25(36)37-26(2,3)4/h6-7,12-15H,8-11H2,1-5H3,(H,29,35).
What are the key properties of tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate has a molecular weight of 507.57 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 167501543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).