tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate

C27H32FN7O3 — CID 167501943

IUPACtert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
SMILESCc1cn2cc(N(C)C(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C27H32FN7O3/c1-17-14-35-15-18(13-21(28)24(35)29-17)32(6)25(36)19-7-8-22(20-16-31(5)30-23(19)20)33-9-11-34(12-10-33)26(37)38-27(2,3)4/h7-8,13-16H,9-12H2,1-6H3
InChIKeyNXCLGHQVTANSCU-UHFFFAOYSA-N
MW521.60 g/mol
LogP4.00
Rot. Bonds3

About tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate

tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate (PubChem CID 167501943) has the molecular formula C27H32FN7O3 and a molecular weight of 521.60 g/mol. Its IUPAC name is tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
PubChem CID167501943
Molecular FormulaC27H32FN7O3
Molecular Weight521.60 g/mol
Exact Mass521.26
IUPAC Nametert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
SMILESCc1cn2cc(N(C)C(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C27H32FN7O3/c1-17-14-35-15-18(13-21(28)24(35)29-17)32(6)25(36)19-7-8-22(20-16-31(5)30-23(19)20)33-9-11-34(12-10-33)26(37)38-27(2,3)4/h7-8,13-16H,9-12H2,1-6H3
InChIKeyNXCLGHQVTANSCU-UHFFFAOYSA-N
XLogP4.00
TPSA88.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.60
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
CID 167501543
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
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
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-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]piperazine-1-carboxylate;ethane
CID 172601447
4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501002
tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate
CID 168888330
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-[3-amino-4-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methanimidoylphenyl]piperazine-1-carboxylate
CID 176741539

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate (CID 167501943) is tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate is Cc1cn2cc(N(C)C(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4cn(C)nc34)cc(F)c2n1.
What is the InChIKey of tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate?
The InChIKey is NXCLGHQVTANSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O3/c1-17-14-35-15-18(13-21(28)24(35)29-17)32(6)25(36)19-7-8-22(20-16-31(5)30-23(19)20)33-9-11-34(12-10-33)26(37)38-27(2,3)4/h7-8,13-16H,9-12H2,1-6H3.
What are the key properties of tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate has a molecular weight of 521.60 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 167501943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).