3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide

C23H18Cl2N4O3 — CID 162494425

IUPAC3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCOc1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12
InChIInChI=1S/C23H18Cl2N4O3/c1-31-21-17(23(30)28-18-6-7-32-20-5-3-2-4-16(18)20)11-27-29-19(12-26-22(21)29)13-8-14(24)10-15(25)9-13/h2-5,8-12,18H,6-7H2,1H3,(H,28,30)/t18-/m0/s1
InChIKeyGCRNWOATNJHTEG-SFHVURJKSA-N
MW469.33 g/mol
LogP4.97
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide

3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 162494425) has the molecular formula C23H18Cl2N4O3 and a molecular weight of 469.33 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID162494425
Molecular FormulaC23H18Cl2N4O3
Molecular Weight469.33 g/mol
Exact Mass468.08
IUPAC Name3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCOc1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12
InChIInChI=1S/C23H18Cl2N4O3/c1-31-21-17(23(30)28-18-6-7-32-20-5-3-2-4-16(18)20)11-27-29-19(12-26-22(21)29)13-8-14(24)10-15(25)9-13/h2-5,8-12,18H,6-7H2,1H3,(H,28,30)/t18-/m0/s1
InChIKeyGCRNWOATNJHTEG-SFHVURJKSA-N
XLogP4.97
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide (CID 162494425) is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide is COc1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is GCRNWOATNJHTEG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H18Cl2N4O3/c1-31-21-17(23(30)28-18-6-7-32-20-5-3-2-4-16(18)20)11-27-29-19(12-26-22(21)29)13-8-14(24)10-15(25)9-13/h2-5,8-12,18H,6-7H2,1H3,(H,28,30)/t18-/m0/s1.
What are the key properties of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide?
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 469.33 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 162494425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).