6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide

C29H33N5O4 — CID 90461293

IUPAC6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C29H33N5O4/c1-19-2-5-23(31-29(35)22-14-26(20-3-4-20)33-30-18-22)17-25(19)21-15-27(34-8-12-37-13-9-34)32-28(16-21)38-24-6-10-36-11-7-24/h2,5,14-18,20,24H,3-4,6-13H2,1H3,(H,31,35)
InChIKeyOSIBRMJXILYOBA-UHFFFAOYSA-N
MW515.61 g/mol
LogP4.37
Rot. Bonds7

About 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide

6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide (PubChem CID 90461293) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
PubChem CID90461293
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC Name6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C29H33N5O4/c1-19-2-5-23(31-29(35)22-14-26(20-3-4-20)33-30-18-22)17-25(19)21-15-27(34-8-12-37-13-9-34)32-28(16-21)38-24-6-10-36-11-7-24/h2,5,14-18,20,24H,3-4,6-13H2,1H3,(H,31,35)
InChIKeyOSIBRMJXILYOBA-UHFFFAOYSA-N
XLogP4.37
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide (CID 90461293) is 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide is Cc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The InChIKey is OSIBRMJXILYOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-19-2-5-23(31-29(35)22-14-26(20-3-4-20)33-30-18-22)17-25(19)21-15-27(34-8-12-37-13-9-34)32-28(16-21)38-24-6-10-36-11-7-24/h2,5,14-18,20,24H,3-4,6-13H2,1H3,(H,31,35).
What are the key properties of 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90461293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).