tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate

C27H33N7O4 — CID 164791971

IUPACtert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)cc2cc1C(=O)Nc1cnn2cnccc12
InChIInChI=1S/C27H33N7O4/c1-27(2,3)38-26(36)32(4)18-6-8-19(9-7-18)33-15-17-12-20(24(37-5)13-21(17)31-33)25(35)30-22-14-29-34-16-28-11-10-23(22)34/h10-16,18-19H,6-9H2,1-5H3,(H,30,35)
InChIKeyGTDZNBRMASRFQB-UHFFFAOYSA-N
MW519.61 g/mol
LogP4.69
Rot. Bonds5

About tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate

tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate (PubChem CID 164791971) has the molecular formula C27H33N7O4 and a molecular weight of 519.61 g/mol. Its IUPAC name is tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate
PubChem CID164791971
Molecular FormulaC27H33N7O4
Molecular Weight519.61 g/mol
Exact Mass519.26
IUPAC Nametert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)cc2cc1C(=O)Nc1cnn2cnccc12
InChIInChI=1S/C27H33N7O4/c1-27(2,3)38-26(36)32(4)18-6-8-19(9-7-18)33-15-17-12-20(24(37-5)13-21(17)31-33)25(35)30-22-14-29-34-16-28-11-10-23(22)34/h10-16,18-19H,6-9H2,1-5H3,(H,30,35)
InChIKeyGTDZNBRMASRFQB-UHFFFAOYSA-N
XLogP4.69
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate
CID 170227634
[(2S)-1-[[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]methylamino]-1-oxopropan-2-yl] acetate
CID 164792003
tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate
CID 175927197
2-[4-[[(2S)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396505
2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
CID 170227651
N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
CID 169132465
[(2S)-1-[[4-[5-(imidazo[1,2-b]pyridazin-3-ylcarbamoyl)-6-methoxyindazol-2-yl]cyclohexyl]-methylamino]-1-oxopropan-2-yl] acetate
CID 175741824
methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate
CID 169132481
2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 171034192
2-[4-(dimethylcarbamoyl)cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396569
2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396353
[(2R)-1-[[4-[6-methoxy-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]methylamino]-1-oxopropan-2-yl] acetate
CID 163396260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate (CID 164791971) is tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate is COc1cc2nn(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)cc2cc1C(=O)Nc1cnn2cnccc12.
What is the InChIKey of tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate?
The InChIKey is GTDZNBRMASRFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O4/c1-27(2,3)38-26(36)32(4)18-6-8-19(9-7-18)33-15-17-12-20(24(37-5)13-21(17)31-33)25(35)30-22-14-29-34-16-28-11-10-23(22)34/h10-16,18-19H,6-9H2,1-5H3,(H,30,35).
What are the key properties of tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate?
tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate has a molecular weight of 519.61 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 164791971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).