tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate

C23H33N7O4 — CID 142769615

IUPACtert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
SMILESCCOc1cccc(Nc2cc(N[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1
InChIInChI=1S/C23H33N7O4/c1-5-33-19-12-8-11-17(28-19)26-16-13-18(29-30-20(16)21(24)31)25-14-9-6-7-10-15(14)27-22(32)34-23(2,3)4/h8,11-15H,5-7,9-10H2,1-4H3,(H2,24,31)(H,27,32)(H2,25,26,28,29)/t14-,15-/m1/s1
InChIKeyCFOMTRKNPRARDW-HUUCEWRRSA-N
MW471.56 g/mol
LogP3.36
Rot. Bonds8

About tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate

tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate (PubChem CID 142769615) has the molecular formula C23H33N7O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
PubChem CID142769615
Molecular FormulaC23H33N7O4
Molecular Weight471.56 g/mol
Exact Mass471.26
IUPAC Nametert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
SMILESCCOc1cccc(Nc2cc(N[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1
InChIInChI=1S/C23H33N7O4/c1-5-33-19-12-8-11-17(28-19)26-16-13-18(29-30-20(16)21(24)31)25-14-9-6-7-10-15(14)27-22(32)34-23(2,3)4/h8,11-15H,5-7,9-10H2,1-4H3,(H2,24,31)(H,27,32)(H2,25,26,28,29)/t14-,15-/m1/s1
InChIKeyCFOMTRKNPRARDW-HUUCEWRRSA-N
XLogP3.36
TPSA153.38 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 86689788
tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate
CID 123358274
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 71626099
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 159805262
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-(3,5-dimethylanilino)pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 160999101
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate
CID 175178885
[(1S,2R)-2-[[6-carbamoyl-5-[(1-methylpyrrolo[2,3-b]pyridin-6-yl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamic acid
CID 142721475
tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 161460258
[(1S,2R)-2-[[6-carbamoyl-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamic acid
CID 142721477
tert-butyl N-[(1S,2R)-2-[[6-cyano-5-[[6-(triazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]amino]cyclohexyl]carbamate
CID 131734334
tert-butyl N-[(1R,2R)-2-(2-aminoanilino)cyclohexyl]carbamate
CID 134843665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate (CID 142769615) is tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate is CCOc1cccc(Nc2cc(N[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate?
The InChIKey is CFOMTRKNPRARDW-HUUCEWRRSA-N. The full InChI is InChI=1S/C23H33N7O4/c1-5-33-19-12-8-11-17(28-19)26-16-13-18(29-30-20(16)21(24)31)25-14-9-6-7-10-15(14)27-22(32)34-23(2,3)4/h8,11-15H,5-7,9-10H2,1-4H3,(H2,24,31)(H,27,32)(H2,25,26,28,29)/t14-,15-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate?
tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate has a molecular weight of 471.56 g/mol, XLogP of 3.36, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 142769615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).