N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide

C25H32FN3O3 — CID 91668795

IUPACN-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)F)c1ccc(OC2CCN(c3ccnc(OCC4CC4)c3)C2)cc1
InChIInChI=1S/C25H32FN3O3/c1-17(28-24(30)25(2,3)26)19-6-8-21(9-7-19)32-22-11-13-29(15-22)20-10-12-27-23(14-20)31-16-18-4-5-18/h6-10,12,14,17-18,22H,4-5,11,13,15-16H2,1-3H3,(H,28,30)/t17-,22?/m0/s1
InChIKeyXQGVHGXPMRAXNM-LBOXEOMUSA-N
MW441.55 g/mol
LogP4.45
Rot. Bonds9

About N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide

N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide (PubChem CID 91668795) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide
PubChem CID91668795
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC NameN-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)F)c1ccc(OC2CCN(c3ccnc(OCC4CC4)c3)C2)cc1
InChIInChI=1S/C25H32FN3O3/c1-17(28-24(30)25(2,3)26)19-6-8-21(9-7-19)32-22-11-13-29(15-22)20-10-12-27-23(14-20)31-16-18-4-5-18/h6-10,12,14,17-18,22H,4-5,11,13,15-16H2,1-3H3,(H,28,30)/t17-,22?/m0/s1
InChIKeyXQGVHGXPMRAXNM-LBOXEOMUSA-N
XLogP4.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide 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 N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide (CID 91668795) is N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide is C[C@H](NC(=O)C(C)(C)F)c1ccc(OC2CCN(c3ccnc(OCC4CC4)c3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide?
The InChIKey is XQGVHGXPMRAXNM-LBOXEOMUSA-N. The full InChI is InChI=1S/C25H32FN3O3/c1-17(28-24(30)25(2,3)26)19-6-8-21(9-7-19)32-22-11-13-29(15-22)20-10-12-27-23(14-20)31-16-18-4-5-18/h6-10,12,14,17-18,22H,4-5,11,13,15-16H2,1-3H3,(H,28,30)/t17-,22?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide?
N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide has a molecular weight of 441.55 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 91668795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).