tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate

C18H25N5O3 — CID 167501698

IUPACtert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate
SMILESCn1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ccc(C(N)=O)c2n1
InChIInChI=1S/C18H25N5O3/c1-18(2,3)26-17(25)23-9-7-22(8-10-23)14-6-5-12(16(19)24)15-13(14)11-21(4)20-15/h5-6,11H,7-10H2,1-4H3,(H2,19,24)
InChIKeyVVBCZXCQSAODPA-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.73
Rot. Bonds2

About tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate

tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate (PubChem CID 167501698) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate
PubChem CID167501698
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nametert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate
SMILESCn1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ccc(C(N)=O)c2n1
InChIInChI=1S/C18H25N5O3/c1-18(2,3)26-17(25)23-9-7-22(8-10-23)14-6-5-12(16(19)24)15-13(14)11-21(4)20-15/h5-6,11H,7-10H2,1-4H3,(H2,19,24)
InChIKeyVVBCZXCQSAODPA-UHFFFAOYSA-N
XLogP1.73
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
CID 167501943
methyl 1-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzotriazole-4-carboxylate
CID 167501085
3-methoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cinnoline-8-carboxylic acid
CID 167500348
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987
tert-butyl 4-(8-bromo-3-iodocinnolin-5-yl)piperazine-1-carboxylate
CID 167500669
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-(5-aminoquinolin-8-yl)piperazine-1-carboxylate
CID 75537190
tert-butyl 4-(4-amino-2,3-dimethylphenyl)piperazine-1-carboxylate
CID 70581857
tert-butyl 4-(5-carbamoyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)piperazine-1-carboxylate
CID 15454669
tert-butyl 4-[2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]piperazine-1-carboxylate
CID 142156540
tert-butyl 4-[3-amino-4-carbamoyl-2-(2-methoxyethyliminomethyl)phenyl]piperazine-1-carboxylate
CID 176741555

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate (CID 167501698) is tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate is Cn1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ccc(C(N)=O)c2n1.
What is the InChIKey of tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate?
The InChIKey is VVBCZXCQSAODPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-18(2,3)26-17(25)23-9-7-22(8-10-23)14-6-5-12(16(19)24)15-13(14)11-21(4)20-15/h5-6,11H,7-10H2,1-4H3,(H2,19,24).
What are the key properties of tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 167501698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).