N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C23H29ClN4O3 — CID 86303215

IUPACN-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(OC4CCCC4)c3Cl)C2)cc1
InChIInChI=1S/C23H29ClN4O3/c1-15(27-16(2)29)17-7-9-19(10-8-17)30-20-11-12-28(13-20)22-21(24)23(26-14-25-22)31-18-5-3-4-6-18/h7-10,14-15,18,20H,3-6,11-13H2,1-2H3,(H,27,29)/t15-,20+/m0/s1
InChIKeyLQKUTIIBXCJCFB-MGPUTAFESA-N
MW444.96 g/mol
LogP4.31
Rot. Bonds7

About N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 86303215) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID86303215
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC NameN-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(OC4CCCC4)c3Cl)C2)cc1
InChIInChI=1S/C23H29ClN4O3/c1-15(27-16(2)29)17-7-9-19(10-8-17)30-20-11-12-28(13-20)22-21(24)23(26-14-25-22)31-18-5-3-4-6-18/h7-10,14-15,18,20H,3-6,11-13H2,1-2H3,(H,27,29)/t15-,20+/m0/s1
InChIKeyLQKUTIIBXCJCFB-MGPUTAFESA-N
XLogP4.31
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide 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-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 86303215) is N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(OC4CCCC4)c3Cl)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is LQKUTIIBXCJCFB-MGPUTAFESA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-15(27-16(2)29)17-7-9-19(10-8-17)30-20-11-12-28(13-20)22-21(24)23(26-14-25-22)31-18-5-3-4-6-18/h7-10,14-15,18,20H,3-6,11-13H2,1-2H3,(H,27,29)/t15-,20+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 444.96 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3R)-1-(5-chloro-6-cyclopentyloxypyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 86303215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).