N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide

C22H24N4O2S — CID 68559854

IUPACN-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(N3CCOC[C@@H]3C)c2s1
InChIInChI=1S/C22H24N4O2S/c1-13-3-4-15(22(27)24-17-5-6-17)9-18(13)19-10-16-11-23-25-21(20(16)29-19)26-7-8-28-12-14(26)2/h3-4,9-11,14,17H,5-8,12H2,1-2H3,(H,24,27)/t14-/m0/s1
InChIKeyQLHMTTGAKQALGT-AWEZNQCLSA-N
MW408.53 g/mol
LogP3.78
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide

N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide (PubChem CID 68559854) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide
PubChem CID68559854
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(N3CCOC[C@@H]3C)c2s1
InChIInChI=1S/C22H24N4O2S/c1-13-3-4-15(22(27)24-17-5-6-17)9-18(13)19-10-16-11-23-25-21(20(16)29-19)26-7-8-28-12-14(26)2/h3-4,9-11,14,17H,5-8,12H2,1-2H3,(H,24,27)/t14-/m0/s1
InChIKeyQLHMTTGAKQALGT-AWEZNQCLSA-N
XLogP3.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide (CID 68559854) is N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(N3CCOC[C@@H]3C)c2s1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide?
The InChIKey is QLHMTTGAKQALGT-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-13-3-4-15(22(27)24-17-5-6-17)9-18(13)19-10-16-11-23-25-21(20(16)29-19)26-7-8-28-12-14(26)2/h3-4,9-11,14,17H,5-8,12H2,1-2H3,(H,24,27)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide?
N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide has a molecular weight of 408.53 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide is sourced from PubChem (CID 68559854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).