tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate

C23H33N7O5 — CID 123358274

IUPACtert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate
SMILESCC(C)Oc1cccc(Nc2cc(NC3CCOCC3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1
InChIInChI=1S/C23H33N7O5/c1-13(2)34-19-8-6-7-17(28-19)26-15-11-18(29-30-20(15)21(24)31)25-14-9-10-33-12-16(14)27-22(32)35-23(3,4)5/h6-8,11,13-14,16H,9-10,12H2,1-5H3,(H2,24,31)(H,27,32)(H2,25,26,28,29)
InChIKeyRQUVQGNCFKIBHZ-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.60
Rot. Bonds8

About tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate

tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate (PubChem CID 123358274) has the molecular formula C23H33N7O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate
PubChem CID123358274
Molecular FormulaC23H33N7O5
Molecular Weight487.56 g/mol
Exact Mass487.25
IUPAC Nametert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate
SMILESCC(C)Oc1cccc(Nc2cc(NC3CCOCC3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1
InChIInChI=1S/C23H33N7O5/c1-13(2)34-19-8-6-7-17(28-19)26-15-11-18(29-30-20(15)21(24)31)25-14-9-10-33-12-16(14)27-22(32)35-23(3,4)5/h6-8,11,13-14,16H,9-10,12H2,1-5H3,(H2,24,31)(H,27,32)(H2,25,26,28,29)
InChIKeyRQUVQGNCFKIBHZ-UHFFFAOYSA-N
XLogP2.60
TPSA162.61 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate (CID 123358274) is tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate is CC(C)Oc1cccc(Nc2cc(NC3CCOCC3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1.
What is the InChIKey of tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate?
The InChIKey is RQUVQGNCFKIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O5/c1-13(2)34-19-8-6-7-17(28-19)26-15-11-18(29-30-20(15)21(24)31)25-14-9-10-33-12-16(14)27-22(32)35-23(3,4)5/h6-8,11,13-14,16H,9-10,12H2,1-5H3,(H2,24,31)(H,27,32)(H2,25,26,28,29).
What are the key properties of tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate?
tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate has a molecular weight of 487.56 g/mol, XLogP of 2.60, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate is sourced from PubChem (CID 123358274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).