6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide

C24H28N8O2 — CID 90462044

IUPAC6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide
SMILESCCNc1nc(-c2cc(NC(=O)c3cnnc(C4CC4)c3)cnc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C24H28N8O2/c1-3-25-24-29-21(12-22(30-24)32-6-8-34-9-7-32)19-11-18(14-26-15(19)2)28-23(33)17-10-20(16-4-5-16)31-27-13-17/h10-14,16H,3-9H2,1-2H3,(H,28,33)(H,25,29,30)
InChIKeyURKZSBDRRMSWLB-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.04
Rot. Bonds7

About 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide

6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide (PubChem CID 90462044) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide
PubChem CID90462044
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide
SMILESCCNc1nc(-c2cc(NC(=O)c3cnnc(C4CC4)c3)cnc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C24H28N8O2/c1-3-25-24-29-21(12-22(30-24)32-6-8-34-9-7-32)19-11-18(14-26-15(19)2)28-23(33)17-10-20(16-4-5-16)31-27-13-17/h10-14,16H,3-9H2,1-2H3,(H,28,33)(H,25,29,30)
InChIKeyURKZSBDRRMSWLB-UHFFFAOYSA-N
XLogP3.04
TPSA118.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide (CID 90462044) is 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide is CCNc1nc(-c2cc(NC(=O)c3cnnc(C4CC4)c3)cnc2C)cc(N2CCOCC2)n1.
What is the InChIKey of 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide?
The InChIKey is URKZSBDRRMSWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-3-25-24-29-21(12-22(30-24)32-6-8-34-9-7-32)19-11-18(14-26-15(19)2)28-23(33)17-10-20(16-4-5-16)31-27-13-17/h10-14,16H,3-9H2,1-2H3,(H,28,33)(H,25,29,30).
What are the key properties of 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide?
6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90462044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).