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

C26H24Cl2N4O2 — CID 162494461

IUPAC3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H24Cl2N4O2/c1-14(2)23-20(26(33)31-21-8-9-34-22-7-5-4-6-19(21)22)13-29-32-24(15(3)30-25(23)32)16-10-17(27)12-18(28)11-16/h4-7,10-14,21H,8-9H2,1-3H3,(H,31,33)/t21-/m0/s1
InChIKeyKXWQMMBFUWAKMX-NRFANRHFSA-N
MW495.41 g/mol
LogP6.39
Rot. Bonds4

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

3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 162494461) has the molecular formula C26H24Cl2N4O2 and a molecular weight of 495.41 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-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]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID162494461
Molecular FormulaC26H24Cl2N4O2
Molecular Weight495.41 g/mol
Exact Mass494.13
IUPAC Name3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H24Cl2N4O2/c1-14(2)23-20(26(33)31-21-8-9-34-22-7-5-4-6-19(21)22)13-29-32-24(15(3)30-25(23)32)16-10-17(27)12-18(28)11-16/h4-7,10-14,21H,8-9H2,1-3H3,(H,31,33)/t21-/m0/s1
InChIKeyKXWQMMBFUWAKMX-NRFANRHFSA-N
XLogP6.39
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.41
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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]-2-methyl-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]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide (CID 162494461) is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-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]-2-methyl-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]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide is Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is KXWQMMBFUWAKMX-NRFANRHFSA-N. The full InChI is InChI=1S/C26H24Cl2N4O2/c1-14(2)23-20(26(33)31-21-8-9-34-22-7-5-4-6-19(21)22)13-29-32-24(15(3)30-25(23)32)16-10-17(27)12-18(28)11-16/h4-7,10-14,21H,8-9H2,1-3H3,(H,31,33)/t21-/m0/s1.
What are the key properties of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 495.41 g/mol, XLogP of 6.39, 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]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 162494461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).