(3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide

C22H24FN3O3 — CID 146120809

IUPAC(3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide
SMILESCc1cccc(OC[C@@H]2CN(C(=O)NC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)n1
InChIInChI=1S/C22H24FN3O3/c1-13-3-2-4-20(24-13)29-11-14-10-26(22(27)25-16-6-7-16)21-17-9-15(23)5-8-19(17)28-12-18(14)21/h2-5,8-9,14,16,18,21H,6-7,10-12H2,1H3,(H,25,27)/t14-,18-,21-/m0/s1
InChIKeyQYHWUZADTVFQKN-XQAUZQBESA-N
MW397.45 g/mol
LogP3.46
Rot. Bonds4

About (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide

(3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide (PubChem CID 146120809) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide
PubChem CID146120809
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide
SMILESCc1cccc(OC[C@@H]2CN(C(=O)NC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)n1
InChIInChI=1S/C22H24FN3O3/c1-13-3-2-4-20(24-13)29-11-14-10-26(22(27)25-16-6-7-16)21-17-9-15(23)5-8-19(17)28-12-18(14)21/h2-5,8-9,14,16,18,21H,6-7,10-12H2,1H3,(H,25,27)/t14-,18-,21-/m0/s1
InChIKeyQYHWUZADTVFQKN-XQAUZQBESA-N
XLogP3.46
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide 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)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide?
The IUPAC name of (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide (CID 146120809) is (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide.
What is the SMILES notation for (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide?
The canonical SMILES for (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide is Cc1cccc(OC[C@@H]2CN(C(=O)NC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)n1.
What is the InChIKey of (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide?
The InChIKey is QYHWUZADTVFQKN-XQAUZQBESA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-13-3-2-4-20(24-13)29-11-14-10-26(22(27)25-16-6-7-16)21-17-9-15(23)5-8-19(17)28-12-18(14)21/h2-5,8-9,14,16,18,21H,6-7,10-12H2,1H3,(H,25,27)/t14-,18-,21-/m0/s1.
What are the key properties of (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide?
(3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide is sourced from PubChem (CID 146120809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).