N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine

C25H29F3N6 — CID 170553902

IUPACN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
SMILESCN1CCC(N2CCC[C@@H](Nc3nnc(-c4ccc(C(F)(F)F)cc4)c4cccnc34)C2)CC1
InChIInChI=1S/C25H29F3N6/c1-33-14-10-20(11-15-33)34-13-3-4-19(16-34)30-24-23-21(5-2-12-29-23)22(31-32-24)17-6-8-18(9-7-17)25(26,27)28/h2,5-9,12,19-20H,3-4,10-11,13-16H2,1H3,(H,30,32)/t19-/m1/s1
InChIKeyQMVDVNPZZQUSDA-LJQANCHMSA-N
MW470.54 g/mol
LogP4.68
Rot. Bonds4

About N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine

N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine (PubChem CID 170553902) has the molecular formula C25H29F3N6 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine.

Molecular Properties

Compound NameN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
PubChem CID170553902
Molecular FormulaC25H29F3N6
Molecular Weight470.54 g/mol
Exact Mass470.24
IUPAC NameN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
SMILESCN1CCC(N2CCC[C@@H](Nc3nnc(-c4ccc(C(F)(F)F)cc4)c4cccnc34)C2)CC1
InChIInChI=1S/C25H29F3N6/c1-33-14-10-20(11-15-33)34-13-3-4-19(16-34)30-24-23-21(5-2-12-29-23)22(31-32-24)17-6-8-18(9-7-17)25(26,27)28/h2,5-9,12,19-20H,3-4,10-11,13-16H2,1H3,(H,30,32)/t19-/m1/s1
InChIKeyQMVDVNPZZQUSDA-LJQANCHMSA-N
XLogP4.68
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 175504874
N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
CID 169259248
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine
CID 174266249
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine
CID 174266279
N-[(3R)-1-methylpiperidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-[1,3]dioxolo[4,5-d]pyridazin-4-amine
CID 174266260
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]phthalazin-1-amine
CID 170553920
tert-butyl (3R,4R)-3-fluoro-4-[[5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]amino]pyrrolidine-1-carboxylate
CID 169259222
2-[3-[[5-[3-hydroxy-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
CID 170259319
1-[(3S)-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyridazin-8-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 169259441
2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579
2-[5-fluoro-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 170259637
tert-butyl (3S)-3-[[8-fluoro-4-[4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]pyrrolidine-1-carboxylate
CID 169259258

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine?
The IUPAC name of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine (CID 170553902) is N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine.
What is the SMILES notation for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine?
The canonical SMILES for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine is CN1CCC(N2CCC[C@@H](Nc3nnc(-c4ccc(C(F)(F)F)cc4)c4cccnc34)C2)CC1.
What is the InChIKey of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine?
The InChIKey is QMVDVNPZZQUSDA-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29F3N6/c1-33-14-10-20(11-15-33)34-13-3-4-19(16-34)30-24-23-21(5-2-12-29-23)22(31-32-24)17-6-8-18(9-7-17)25(26,27)28/h2,5-9,12,19-20H,3-4,10-11,13-16H2,1H3,(H,30,32)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine?
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine has a molecular weight of 470.54 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine is sourced from PubChem (CID 170553902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).