N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C20H22F3N5O5 — CID 171695232

IUPACN-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC[C@@H]1OC[C@@H]2CN(C(=O)c3ccn[nH]3)CC[C@@H]21)c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N5O3.C2HF3O2/c24-17(12-1-5-19-6-2-12)20-9-16-14-4-8-23(10-13(14)11-26-16)18(25)15-3-7-21-22-15;3-2(4,5)1(6)7/h1-3,5-7,13-14,16H,4,8-11H2,(H,20,24)(H,21,22);(H,6,7)/t13-,14-,16-;/m0./s1
InChIKeyGWEDZZDAUFLESM-LRRYJFTCSA-N
MW469.42 g/mol
LogP1.35
Rot. Bonds4

About N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171695232) has the molecular formula C20H22F3N5O5 and a molecular weight of 469.42 g/mol. Its IUPAC name is N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171695232
Molecular FormulaC20H22F3N5O5
Molecular Weight469.42 g/mol
Exact Mass469.16
IUPAC NameN-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC[C@@H]1OC[C@@H]2CN(C(=O)c3ccn[nH]3)CC[C@@H]21)c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N5O3.C2HF3O2/c24-17(12-1-5-19-6-2-12)20-9-16-14-4-8-23(10-13(14)11-26-16)18(25)15-3-7-21-22-15;3-2(4,5)1(6)7/h1-3,5-7,13-14,16H,4,8-11H2,(H,20,24)(H,21,22);(H,6,7)/t13-,14-,16-;/m0./s1
InChIKeyGWEDZZDAUFLESM-LRRYJFTCSA-N
XLogP1.35
TPSA137.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 171695232) is N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC[C@@H]1OC[C@@H]2CN(C(=O)c3ccn[nH]3)CC[C@@H]21)c1ccncc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GWEDZZDAUFLESM-LRRYJFTCSA-N. The full InChI is InChI=1S/C18H21N5O3.C2HF3O2/c24-17(12-1-5-19-6-2-12)20-9-16-14-4-8-23(10-13(14)11-26-16)18(25)15-3-7-21-22-15;3-2(4,5)1(6)7/h1-3,5-7,13-14,16H,4,8-11H2,(H,20,24)(H,21,22);(H,6,7)/t13-,14-,16-;/m0./s1.
What are the key properties of N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 469.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3aS,7aS)-5-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171695232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).