(1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C19H26N4O2 — CID 154567330

IUPAC(1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCc2ccn[nH]2)C[C@@H]2CC[C@H]1N2Cc1ccc(C)o1
InChIInChI=1S/C19H26N4O2/c1-3-19(18(24)20-11-14-8-9-21-22-14)10-15-5-7-17(19)23(15)12-16-6-4-13(2)25-16/h4,6,8-9,15,17H,3,5,7,10-12H2,1-2H3,(H,20,24)(H,21,22)/t15-,17+,19+/m0/s1
InChIKeyGFRKOYXMHYZJES-KVSKMBFKSA-N
MW342.44 g/mol
LogP2.76
Rot. Bonds6

About (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 154567330) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID154567330
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCc2ccn[nH]2)C[C@@H]2CC[C@H]1N2Cc1ccc(C)o1
InChIInChI=1S/C19H26N4O2/c1-3-19(18(24)20-11-14-8-9-21-22-14)10-15-5-7-17(19)23(15)12-16-6-4-13(2)25-16/h4,6,8-9,15,17H,3,5,7,10-12H2,1-2H3,(H,20,24)(H,21,22)/t15-,17+,19+/m0/s1
InChIKeyGFRKOYXMHYZJES-KVSKMBFKSA-N
XLogP2.76
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 154567330) is (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC[C@@]1(C(=O)NCc2ccn[nH]2)C[C@@H]2CC[C@H]1N2Cc1ccc(C)o1.
What is the InChIKey of (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GFRKOYXMHYZJES-KVSKMBFKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-19(18(24)20-11-14-8-9-21-22-14)10-15-5-7-17(19)23(15)12-16-6-4-13(2)25-16/h4,6,8-9,15,17H,3,5,7,10-12H2,1-2H3,(H,20,24)(H,21,22)/t15-,17+,19+/m0/s1.
What are the key properties of (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 154567330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).