tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate

C27H32FN7O4 — CID 167501732

IUPACtert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate
SMILESCOc1cc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c2nn(C)cc2c1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C27H32FN7O4/c1-16-13-35-14-17(11-20(28)24(35)29-16)30-25(36)18-12-21(38-6)23(19-15-32(5)31-22(18)19)33-7-9-34(10-8-33)26(37)39-27(2,3)4/h11-15H,7-10H2,1-6H3,(H,30,36)
InChIKeyUCRHJUQEVCCFAS-UHFFFAOYSA-N
MW537.60 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate

tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate (PubChem CID 167501732) has the molecular formula C27H32FN7O4 and a molecular weight of 537.60 g/mol. Its IUPAC name is tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate
PubChem CID167501732
Molecular FormulaC27H32FN7O4
Molecular Weight537.60 g/mol
Exact Mass537.25
IUPAC Nametert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate
SMILESCOc1cc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c2nn(C)cc2c1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C27H32FN7O4/c1-16-13-35-14-17(11-20(28)24(35)29-16)30-25(36)18-12-21(38-6)23(19-15-32(5)31-22(18)19)33-7-9-34(10-8-33)26(37)39-27(2,3)4/h11-15H,7-10H2,1-6H3,(H,30,36)
InChIKeyUCRHJUQEVCCFAS-UHFFFAOYSA-N
XLogP3.99
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-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)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate (CID 167501732) is tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-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)carbamoyl]-5-methoxy-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)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate is COc1cc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c2nn(C)cc2c1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate?
The InChIKey is UCRHJUQEVCCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O4/c1-16-13-35-14-17(11-20(28)24(35)29-16)30-25(36)18-12-21(38-6)23(19-15-32(5)31-22(18)19)33-7-9-34(10-8-33)26(37)39-27(2,3)4/h11-15H,7-10H2,1-6H3,(H,30,36).
What are the key properties of tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate has a molecular weight of 537.60 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 9 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)carbamoyl]-5-methoxy-2-methylindazol-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 167501732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).