N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine

C19H24F3N5O — CID 165087468

IUPACN-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESFC(F)(F)CN1CCC(c2nnc(NC[C@H]3CCCO3)c3cnccc23)CC1
InChIInChI=1S/C19H24F3N5O/c20-19(21,22)12-27-7-4-13(5-8-27)17-15-3-6-23-11-16(15)18(26-25-17)24-10-14-2-1-9-28-14/h3,6,11,13-14H,1-2,4-5,7-10,12H2,(H,24,26)/t14-/m1/s1
InChIKeyWDCZKAWTGKSWOE-CQSZACIVSA-N
MW395.43 g/mol
LogP3.36
Rot. Bonds5

About N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine

N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 165087468) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID165087468
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESFC(F)(F)CN1CCC(c2nnc(NC[C@H]3CCCO3)c3cnccc23)CC1
InChIInChI=1S/C19H24F3N5O/c20-19(21,22)12-27-7-4-13(5-8-27)17-15-3-6-23-11-16(15)18(26-25-17)24-10-14-2-1-9-28-14/h3,6,11,13-14H,1-2,4-5,7-10,12H2,(H,24,26)/t14-/m1/s1
InChIKeyWDCZKAWTGKSWOE-CQSZACIVSA-N
XLogP3.36
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine (CID 165087468) is N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine is FC(F)(F)CN1CCC(c2nnc(NC[C@H]3CCCO3)c3cnccc23)CC1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is WDCZKAWTGKSWOE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24F3N5O/c20-19(21,22)12-27-7-4-13(5-8-27)17-15-3-6-23-11-16(15)18(26-25-17)24-10-14-2-1-9-28-14/h3,6,11,13-14H,1-2,4-5,7-10,12H2,(H,24,26)/t14-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine?
N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 395.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 165087468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).