N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid

C18H19F3N6O4 — CID 155828515

IUPACN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC[C@]12COC[C@H]1CN(c1ncccn1)C2)c1ccnnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N6O2.C2HF3O2/c23-14(12-2-5-20-21-6-12)19-9-16-10-22(7-13(16)8-24-11-16)15-17-3-1-4-18-15;3-2(4,5)1(6)7/h1-6,13H,7-11H2,(H,19,23);(H,6,7)/t13-,16+;/m1./s1
InChIKeyWWECEYKHHLOZPF-CACIRBSMSA-N
MW440.38 g/mol
LogP0.78
Rot. Bonds4

About N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155828515) has the molecular formula C18H19F3N6O4 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155828515
Molecular FormulaC18H19F3N6O4
Molecular Weight440.38 g/mol
Exact Mass440.14
IUPAC NameN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC[C@]12COC[C@H]1CN(c1ncccn1)C2)c1ccnnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N6O2.C2HF3O2/c23-14(12-2-5-20-21-6-12)19-9-16-10-22(7-13(16)8-24-11-16)15-17-3-1-4-18-15;3-2(4,5)1(6)7/h1-6,13H,7-11H2,(H,19,23);(H,6,7)/t13-,16+;/m1./s1
InChIKeyWWECEYKHHLOZPF-CACIRBSMSA-N
XLogP0.78
TPSA130.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155828515) is N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC[C@]12COC[C@H]1CN(c1ncccn1)C2)c1ccnnc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WWECEYKHHLOZPF-CACIRBSMSA-N. The full InChI is InChI=1S/C16H18N6O2.C2HF3O2/c23-14(12-2-5-20-21-6-12)19-9-16-10-22(7-13(16)8-24-11-16)15-17-3-1-4-18-15;3-2(4,5)1(6)7/h1-6,13H,7-11H2,(H,19,23);(H,6,7)/t13-,16+;/m1./s1.
What are the key properties of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 440.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).