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

C26H23Cl2N5O3 — CID 162494422

IUPAC3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1
InChIInChI=1S/C26H23Cl2N5O3/c27-17-11-16(12-18(28)13-17)22-15-29-25-24(32-6-9-35-10-7-32)20(14-30-33(22)25)26(34)31-21-5-8-36-23-4-2-1-3-19(21)23/h1-4,11-15,21H,5-10H2,(H,31,34)/t21-/m0/s1
InChIKeyNVOJDUBBDYIFLZ-NRFANRHFSA-N
MW524.41 g/mol
LogP4.79
Rot. Bonds4

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

3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 162494422) has the molecular formula C26H23Cl2N5O3 and a molecular weight of 524.41 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID162494422
Molecular FormulaC26H23Cl2N5O3
Molecular Weight524.41 g/mol
Exact Mass523.12
IUPAC Name3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1
InChIInChI=1S/C26H23Cl2N5O3/c27-17-11-16(12-18(28)13-17)22-15-29-25-24(32-6-9-35-10-7-32)20(14-30-33(22)25)26(34)31-21-5-8-36-23-4-2-1-3-19(21)23/h1-4,11-15,21H,5-10H2,(H,31,34)/t21-/m0/s1
InChIKeyNVOJDUBBDYIFLZ-NRFANRHFSA-N
XLogP4.79
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide (CID 162494422) is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[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-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is NVOJDUBBDYIFLZ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H23Cl2N5O3/c27-17-11-16(12-18(28)13-17)22-15-29-25-24(32-6-9-35-10-7-32)20(14-30-33(22)25)26(34)31-21-5-8-36-23-4-2-1-3-19(21)23/h1-4,11-15,21H,5-10H2,(H,31,34)/t21-/m0/s1.
What are the key properties of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 524.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 162494422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).