6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide

C28H32N6O3 — CID 90461067

IUPAC6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1
InChIInChI=1S/C28H32N6O3/c1-18-3-6-22(30-27(35)21-11-24(19-4-5-19)32-29-15-21)14-23(18)20-12-25(33-7-9-37-10-8-33)31-26(13-20)34-16-28(2,36)17-34/h3,6,11-15,19,36H,4-5,7-10,16-17H2,1-2H3,(H,30,35)
InChIKeyRQGAPFNBWMMRNO-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.38
Rot. Bonds6

About 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide

6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide (PubChem CID 90461067) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
PubChem CID90461067
Molecular FormulaC28H32N6O3
Molecular Weight500.60 g/mol
Exact Mass500.25
IUPAC Name6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1
InChIInChI=1S/C28H32N6O3/c1-18-3-6-22(30-27(35)21-11-24(19-4-5-19)32-29-15-21)14-23(18)20-12-25(33-7-9-37-10-8-33)31-26(13-20)34-16-28(2,36)17-34/h3,6,11-15,19,36H,4-5,7-10,16-17H2,1-2H3,(H,30,35)
InChIKeyRQGAPFNBWMMRNO-UHFFFAOYSA-N
XLogP3.38
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide (CID 90461067) is 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide is Cc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1.
What is the InChIKey of 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide?
The InChIKey is RQGAPFNBWMMRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-18-3-6-22(30-27(35)21-11-24(19-4-5-19)32-29-15-21)14-23(18)20-12-25(33-7-9-37-10-8-33)31-26(13-20)34-16-28(2,36)17-34/h3,6,11-15,19,36H,4-5,7-10,16-17H2,1-2H3,(H,30,35).
What are the key properties of 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide?
6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90461067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).