N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C44H33F7N10O4 — CID 126708762

IUPACN-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(CCc2cc(-c3ccccc3OC(F)(F)F)nn3c(C(=O)Nc4ccncc4F)c(C)nc23)cc(NC(=O)c2c(C)nc3c(C)cc(-c4ccccc4OC(F)(F)F)nn23)n1
InChIInChI=1S/C44H33F7N10O4/c1-22-17-32(28-9-5-7-11-34(28)64-43(46,47)48)58-60-38(24(3)54-39(22)60)42(63)57-36-19-26(18-23(2)53-36)13-14-27-20-33(29-10-6-8-12-35(29)65-44(49,50)51)59-61-37(25(4)55-40(27)61)41(62)56-31-15-16-52-21-30(31)45/h5-12,15-21H,13-14H2,1-4H3,(H,52,56,62)(H,53,57,63)
InChIKeyDCDAPOQNMCWVMP-UHFFFAOYSA-N
MW898.80 g/mol
LogP9.36
Rot. Bonds11

About N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126708762) has the molecular formula C44H33F7N10O4 and a molecular weight of 898.80 g/mol. Its IUPAC name is N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126708762
Molecular FormulaC44H33F7N10O4
Molecular Weight898.80 g/mol
Exact Mass898.26
IUPAC NameN-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(CCc2cc(-c3ccccc3OC(F)(F)F)nn3c(C(=O)Nc4ccncc4F)c(C)nc23)cc(NC(=O)c2c(C)nc3c(C)cc(-c4ccccc4OC(F)(F)F)nn23)n1
InChIInChI=1S/C44H33F7N10O4/c1-22-17-32(28-9-5-7-11-34(28)64-43(46,47)48)58-60-38(24(3)54-39(22)60)42(63)57-36-19-26(18-23(2)53-36)13-14-27-20-33(29-10-6-8-12-35(29)65-44(49,50)51)59-61-37(25(4)55-40(27)61)41(62)56-31-15-16-52-21-30(31)45/h5-12,15-21H,13-14H2,1-4H3,(H,52,56,62)(H,53,57,63)
InChIKeyDCDAPOQNMCWVMP-UHFFFAOYSA-N
XLogP9.36
TPSA162.82 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500898.80
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 126708762) is N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(CCc2cc(-c3ccccc3OC(F)(F)F)nn3c(C(=O)Nc4ccncc4F)c(C)nc23)cc(NC(=O)c2c(C)nc3c(C)cc(-c4ccccc4OC(F)(F)F)nn23)n1.
What is the InChIKey of N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DCDAPOQNMCWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33F7N10O4/c1-22-17-32(28-9-5-7-11-34(28)64-43(46,47)48)58-60-38(24(3)54-39(22)60)42(63)57-36-19-26(18-23(2)53-36)13-14-27-20-33(29-10-6-8-12-35(29)65-44(49,50)51)59-61-37(25(4)55-40(27)61)41(62)56-31-15-16-52-21-30(31)45/h5-12,15-21H,13-14H2,1-4H3,(H,52,56,62)(H,53,57,63).
What are the key properties of N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 898.80 g/mol, XLogP of 9.36, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-[(3-fluoro-4-pyridinyl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methyl-2-pyridinyl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126708762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).