8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C45H35F6N11O3 — CID 123170184

IUPAC8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3cc(Cc4cc(-c5ccccc5C(F)(F)F)nn5c(C(=O)Nc6cccc(CN7CCOCC7)n6)cnc45)ccn3)cnc12
InChIInChI=1S/C45H35F6N11O3/c1-26-19-34(30-8-2-4-10-32(30)44(46,47)48)58-61-36(23-53-40(26)61)43(64)57-39-21-27(13-14-52-39)20-28-22-35(31-9-3-5-11-33(31)45(49,50)51)59-62-37(24-54-41(28)62)42(63)56-38-12-6-7-29(55-38)25-60-15-17-65-18-16-60/h2-14,19,21-24H,15-18,20,25H2,1H3,(H,52,57,64)(H,55,56,63)
InChIKeyHYHDQWRHBGNHKE-UHFFFAOYSA-N
MW891.84 g/mol
LogP8.17
Rot. Bonds10

About 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123170184) has the molecular formula C45H35F6N11O3 and a molecular weight of 891.84 g/mol. Its IUPAC name is 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID123170184
Molecular FormulaC45H35F6N11O3
Molecular Weight891.84 g/mol
Exact Mass891.28
IUPAC Name8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3cc(Cc4cc(-c5ccccc5C(F)(F)F)nn5c(C(=O)Nc6cccc(CN7CCOCC7)n6)cnc45)ccn3)cnc12
InChIInChI=1S/C45H35F6N11O3/c1-26-19-34(30-8-2-4-10-32(30)44(46,47)48)58-61-36(23-53-40(26)61)43(64)57-39-21-27(13-14-52-39)20-28-22-35(31-9-3-5-11-33(31)45(49,50)51)59-62-37(24-54-41(28)62)42(63)56-38-12-6-7-29(55-38)25-60-15-17-65-18-16-60/h2-14,19,21-24H,15-18,20,25H2,1H3,(H,52,57,64)(H,55,56,63)
InChIKeyHYHDQWRHBGNHKE-UHFFFAOYSA-N
XLogP8.17
TPSA156.83 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.84
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 123170184) is 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3cc(Cc4cc(-c5ccccc5C(F)(F)F)nn5c(C(=O)Nc6cccc(CN7CCOCC7)n6)cnc45)ccn3)cnc12.
What is the InChIKey of 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is HYHDQWRHBGNHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35F6N11O3/c1-26-19-34(30-8-2-4-10-32(30)44(46,47)48)58-61-36(23-53-40(26)61)43(64)57-39-21-27(13-14-52-39)20-28-22-35(31-9-3-5-11-33(31)45(49,50)51)59-62-37(24-54-41(28)62)42(63)56-38-12-6-7-29(55-38)25-60-15-17-65-18-16-60/h2-14,19,21-24H,15-18,20,25H2,1H3,(H,52,57,64)(H,55,56,63).
What are the key properties of 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 891.84 g/mol, XLogP of 8.17, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123170184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).