(4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine

C24H31F3N6O — CID 166548770

IUPAC(4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NCc2cc(N)nc(C(F)(F)F)c2C)/c1=C/C(=C/CC)N1CCOCC1
InChIInChI=1S/C24H31F3N6O/c1-5-7-18(33-8-10-34-11-9-33)13-20-19(6-2)16(4)31-32-23(20)29-14-17-12-21(28)30-22(15(17)3)24(25,26)27/h6-7,12-13H,5,8-11,14H2,1-4H3,(H2,28,30)(H,29,32)/b18-7-,19-6-,20-13+
InChIKeyRSGKCJBIYMMLFE-DLYVKADSSA-N
MW476.55 g/mol
LogP2.91
Rot. Bonds6

About (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine

(4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine (PubChem CID 166548770) has the molecular formula C24H31F3N6O and a molecular weight of 476.55 g/mol. Its IUPAC name is (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine
PubChem CID166548770
Molecular FormulaC24H31F3N6O
Molecular Weight476.55 g/mol
Exact Mass476.25
IUPAC Name(4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NCc2cc(N)nc(C(F)(F)F)c2C)/c1=C/C(=C/CC)N1CCOCC1
InChIInChI=1S/C24H31F3N6O/c1-5-7-18(33-8-10-34-11-9-33)13-20-19(6-2)16(4)31-32-23(20)29-14-17-12-21(28)30-22(15(17)3)24(25,26)27/h6-7,12-13H,5,8-11,14H2,1-4H3,(H2,28,30)(H,29,32)/b18-7-,19-6-,20-13+
InChIKeyRSGKCJBIYMMLFE-DLYVKADSSA-N
XLogP2.91
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine?
The IUPAC name of (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine (CID 166548770) is (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine.
What is the SMILES notation for (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine?
The canonical SMILES for (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine is C/C=c1/c(C)nnc(NCc2cc(N)nc(C(F)(F)F)c2C)/c1=C/C(=C/CC)N1CCOCC1.
What is the InChIKey of (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine?
The InChIKey is RSGKCJBIYMMLFE-DLYVKADSSA-N. The full InChI is InChI=1S/C24H31F3N6O/c1-5-7-18(33-8-10-34-11-9-33)13-20-19(6-2)16(4)31-32-23(20)29-14-17-12-21(28)30-22(15(17)3)24(25,26)27/h6-7,12-13H,5,8-11,14H2,1-4H3,(H2,28,30)(H,29,32)/b18-7-,19-6-,20-13+.
What are the key properties of (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine?
(4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine has a molecular weight of 476.55 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine is sourced from PubChem (CID 166548770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).