4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid

C19H22N4O3 — CID 154762917

IUPAC4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1
InChIInChI=1S/C19H22N4O3/c24-17(25)14-9-20-7-5-15(14)23-10-13-2-1-6-19(13,11-23)18-21-16(22-26-18)8-12-3-4-12/h5,7,9,12-13H,1-4,6,8,10-11H2,(H,24,25)/t13-,19-/m1/s1
InChIKeyRFMBFXUGHMBJNX-BFUOFWGJSA-N
MW354.41 g/mol
LogP2.67
Rot. Bonds5

About 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid

4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid (PubChem CID 154762917) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid
PubChem CID154762917
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1
InChIInChI=1S/C19H22N4O3/c24-17(25)14-9-20-7-5-15(14)23-10-13-2-1-6-19(13,11-23)18-21-16(22-26-18)8-12-3-4-12/h5,7,9,12-13H,1-4,6,8,10-11H2,(H,24,25)/t13-,19-/m1/s1
InChIKeyRFMBFXUGHMBJNX-BFUOFWGJSA-N
XLogP2.67
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid (CID 154762917) is 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid is O=C(O)c1cnccc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1.
What is the InChIKey of 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid?
The InChIKey is RFMBFXUGHMBJNX-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-17(25)14-9-20-7-5-15(14)23-10-13-2-1-6-19(13,11-23)18-21-16(22-26-18)8-12-3-4-12/h5,7,9,12-13H,1-4,6,8,10-11H2,(H,24,25)/t13-,19-/m1/s1.
What are the key properties of 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid?
4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 154762917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).