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

C25H22Cl2N4O2 — CID 162494410

IUPAC3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12
InChIInChI=1S/C25H22Cl2N4O2/c1-14(2)23-19(25(32)30-20-7-8-33-22-6-4-3-5-18(20)22)12-29-31-21(13-28-24(23)31)15-9-16(26)11-17(27)10-15/h3-6,9-14,20H,7-8H2,1-2H3,(H,30,32)/t20-/m0/s1
InChIKeyLOHASKSOHYIPFB-FQEVSTJZSA-N
MW481.38 g/mol
LogP6.08
Rot. Bonds4

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

3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 162494410) has the molecular formula C25H22Cl2N4O2 and a molecular weight of 481.38 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID162494410
Molecular FormulaC25H22Cl2N4O2
Molecular Weight481.38 g/mol
Exact Mass480.11
IUPAC Name3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12
InChIInChI=1S/C25H22Cl2N4O2/c1-14(2)23-19(25(32)30-20-7-8-33-22-6-4-3-5-18(20)22)12-29-31-21(13-28-24(23)31)15-9-16(26)11-17(27)10-15/h3-6,9-14,20H,7-8H2,1-2H3,(H,30,32)/t20-/m0/s1
InChIKeyLOHASKSOHYIPFB-FQEVSTJZSA-N
XLogP6.08
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propan-2-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-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide (CID 162494410) is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-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-propan-2-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-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide is CC(C)c1c(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-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is LOHASKSOHYIPFB-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H22Cl2N4O2/c1-14(2)23-19(25(32)30-20-7-8-33-22-6-4-3-5-18(20)22)12-29-31-21(13-28-24(23)31)15-9-16(26)11-17(27)10-15/h3-6,9-14,20H,7-8H2,1-2H3,(H,30,32)/t20-/m0/s1.
What are the key properties of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 481.38 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 162494410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).