[(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone

C22H24N2O3 — CID 146120595

IUPAC[(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1C[C@@H](COCC2CC2)[C@@H]2COc3ccccc3[C@@H]21
InChIInChI=1S/C22H24N2O3/c25-22(16-7-9-23-10-8-16)24-11-17(13-26-12-15-5-6-15)19-14-27-20-4-2-1-3-18(20)21(19)24/h1-4,7-10,15,17,19,21H,5-6,11-14H2/t17-,19-,21-/m0/s1
InChIKeyGYEYUBNDAJIJGO-CUWPLCDZSA-N
MW364.44 g/mol
LogP3.33
Rot. Bonds5

About [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone

[(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone (PubChem CID 146120595) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone
PubChem CID146120595
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name[(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1C[C@@H](COCC2CC2)[C@@H]2COc3ccccc3[C@@H]21
InChIInChI=1S/C22H24N2O3/c25-22(16-7-9-23-10-8-16)24-11-17(13-26-12-15-5-6-15)19-14-27-20-4-2-1-3-18(20)21(19)24/h1-4,7-10,15,17,19,21H,5-6,11-14H2/t17-,19-,21-/m0/s1
InChIKeyGYEYUBNDAJIJGO-CUWPLCDZSA-N
XLogP3.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone (CID 146120595) is [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1C[C@@H](COCC2CC2)[C@@H]2COc3ccccc3[C@@H]21.
What is the InChIKey of [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone?
The InChIKey is GYEYUBNDAJIJGO-CUWPLCDZSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22(16-7-9-23-10-8-16)24-11-17(13-26-12-15-5-6-15)19-14-27-20-4-2-1-3-18(20)21(19)24/h1-4,7-10,15,17,19,21H,5-6,11-14H2/t17-,19-,21-/m0/s1.
What are the key properties of [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone?
[(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone has a molecular weight of 364.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 146120595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).