2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine

C46H55F2N11O7 — CID 144717437

IUPAC2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine
SMILESCc1ncc(N)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
InChIInChI=1S/C27H30F2N6O4.C19H25N5O3/c1-17-21(14-19(16-31-17)32-25(36)18-3-6-30-24(13-18)27(2,28)29)22-15-23(35-7-11-38-12-8-35)26(34-33-22)39-20-4-9-37-10-5-20;1-13-16(10-14(20)12-21-13)17-11-18(24-4-8-26-9-5-24)19(23-22-17)27-15-2-6-25-7-3-15/h3,6,13-16,20H,4-5,7-12H2,1-2H3,(H,32,36);10-12,15H,2-9,20H2,1H3
InChIKeyYXXIMJKEBABDGQ-UHFFFAOYSA-N
MW912.01 g/mol
LogP5.82
Rot. Bonds11

About 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine

2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine (PubChem CID 144717437) has the molecular formula C46H55F2N11O7 and a molecular weight of 912.01 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine
PubChem CID144717437
Molecular FormulaC46H55F2N11O7
Molecular Weight912.01 g/mol
Exact Mass911.43
IUPAC Name2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine
SMILESCc1ncc(N)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
InChIInChI=1S/C27H30F2N6O4.C19H25N5O3/c1-17-21(14-19(16-31-17)32-25(36)18-3-6-30-24(13-18)27(2,28)29)22-15-23(35-7-11-38-12-8-35)26(34-33-22)39-20-4-9-37-10-5-20;1-13-16(10-14(20)12-21-13)17-11-18(24-4-8-26-9-5-24)19(23-22-17)27-15-2-6-25-7-3-15/h3,6,13-16,20H,4-5,7-12H2,1-2H3,(H,32,36);10-12,15H,2-9,20H2,1H3
InChIKeyYXXIMJKEBABDGQ-UHFFFAOYSA-N
XLogP5.82
TPSA207.21 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500912.01
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine with MolForge

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Related Compounds

N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90408826
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456597
N-[5-[6-[(3R,4S)-3-fluorooxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609669
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118870913
N-[5-[6-[(3S,4S)-3-methoxyoxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118887129
N-[2-(1,1-difluoroethyl)pyridin-4-yl]-3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylbenzamide
CID 90456082
N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456250
N-(6'-ethoxy-2-methyl-5'-morpholino-[3,3'-bipyridin]-5-yl)-2-(2-fluoropropan-2-yl)isonicotinamide
CID 90456405
N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456408
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90456442
N-(6'-((1,4-dioxan-2-yl)methoxy)-2-methyl-5'-morpholino-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90456490

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine (CID 144717437) is 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine is Cc1ncc(N)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine?
The InChIKey is YXXIMJKEBABDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N6O4.C19H25N5O3/c1-17-21(14-19(16-31-17)32-25(36)18-3-6-30-24(13-18)27(2,28)29)22-15-23(35-7-11-38-12-8-35)26(34-33-22)39-20-4-9-37-10-5-20;1-13-16(10-14(20)12-21-13)17-11-18(24-4-8-26-9-5-24)19(23-22-17)27-15-2-6-25-7-3-15/h3,6,13-16,20H,4-5,7-12H2,1-2H3,(H,32,36);10-12,15H,2-9,20H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine?
2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine has a molecular weight of 912.01 g/mol, XLogP of 5.82, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine is sourced from PubChem (CID 144717437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).