N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C23H20F3N7O2 — CID 90456083

IUPACN-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C23H20F3N7O2/c1-14-17(18-12-20(32-6-8-35-9-7-32)21-28-4-5-33(21)31-18)11-16(13-29-14)30-22(34)19-10-15(2-3-27-19)23(24,25)26/h2-5,10-13H,6-9H2,1H3,(H,30,34)
InChIKeyAHSWXYMNZRQFGL-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.60
Rot. Bonds4

About N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 90456083) has the molecular formula C23H20F3N7O2 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID90456083
Molecular FormulaC23H20F3N7O2
Molecular Weight483.45 g/mol
Exact Mass483.16
IUPAC NameN-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C23H20F3N7O2/c1-14-17(18-12-20(32-6-8-35-9-7-32)21-28-4-5-33(21)31-18)11-16(13-29-14)30-22(34)19-10-15(2-3-27-19)23(24,25)26/h2-5,10-13H,6-9H2,1H3,(H,30,34)
InChIKeyAHSWXYMNZRQFGL-UHFFFAOYSA-N
XLogP3.60
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 90456083) is N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c2nccn2n1.
What is the InChIKey of N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AHSWXYMNZRQFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O2/c1-14-17(18-12-20(32-6-8-35-9-7-32)21-28-4-5-33(21)31-18)11-16(13-29-14)30-22(34)19-10-15(2-3-27-19)23(24,25)26/h2-5,10-13H,6-9H2,1H3,(H,30,34).
What are the key properties of N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90456083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).