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

C18H15F4N5 — CID 169259248

IUPACN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
SMILESF[C@@H]1CNC[C@H]1Nc1nnc(-c2ccc(C(F)(F)F)cc2)c2cccnc12
InChIInChI=1S/C18H15F4N5/c19-13-8-23-9-14(13)25-17-16-12(2-1-7-24-16)15(26-27-17)10-3-5-11(6-4-10)18(20,21)22/h1-7,13-14,23H,8-9H2,(H,25,27)/t13-,14-/m1/s1
InChIKeyXZBXJUTUGKVAET-ZIAGYGMSSA-N
MW377.35 g/mol
LogP3.43
Rot. Bonds3

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

N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine (PubChem CID 169259248) has the molecular formula C18H15F4N5 and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine.

Molecular Properties

Compound NameN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
PubChem CID169259248
Molecular FormulaC18H15F4N5
Molecular Weight377.35 g/mol
Exact Mass377.13
IUPAC NameN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
SMILESF[C@@H]1CNC[C@H]1Nc1nnc(-c2ccc(C(F)(F)F)cc2)c2cccnc12
InChIInChI=1S/C18H15F4N5/c19-13-8-23-9-14(13)25-17-16-12(2-1-7-24-16)15(26-27-17)10-3-5-11(6-4-10)18(20,21)22/h1-7,13-14,23H,8-9H2,(H,25,27)/t13-,14-/m1/s1
InChIKeyXZBXJUTUGKVAET-ZIAGYGMSSA-N
XLogP3.43
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-[[4-[4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]pyrrolidin-3-ol
CID 169259386
tert-butyl (3R,4R)-3-fluoro-4-[[5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]amino]pyrrolidine-1-carboxylate
CID 169259222
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
CID 170553902
(3R,4S)-4-[[4-[4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]pyrrolidine-3-carboxamide
CID 169259305
(3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol
CID 169259312
tert-butyl (3S,4R)-3-hydroxy-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-5-yl]amino]pyrrolidine-1-carboxylate
CID 169259238
6-[4-(trifluoromethyl)phenyl]pyrido[2,3-c][1,8]naphthyridine
CID 162534915
[(3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]pyrrolidin-3-yl]methanol;hydrochloride
CID 170311396
N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 175504874
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
1-[(3S,4R)-3-hydroxy-4-[[4-[4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 169259307
2-[3-[[5-[3-hydroxy-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
CID 170259319

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine?
The IUPAC name of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine (CID 169259248) is N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine.
What is the SMILES notation for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine?
The canonical SMILES for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine is F[C@@H]1CNC[C@H]1Nc1nnc(-c2ccc(C(F)(F)F)cc2)c2cccnc12.
What is the InChIKey of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine?
The InChIKey is XZBXJUTUGKVAET-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H15F4N5/c19-13-8-23-9-14(13)25-17-16-12(2-1-7-24-16)15(26-27-17)10-3-5-11(6-4-10)18(20,21)22/h1-7,13-14,23H,8-9H2,(H,25,27)/t13-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine?
N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine has a molecular weight of 377.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine is sourced from PubChem (CID 169259248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).