1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one

C29H31N5O3 — CID 11526153

IUPAC1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(-c2[nH]c3ncnc(NCC4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C29H31N5O3/c35-24-9-4-14-34(24)15-17-37-22-12-10-21(11-13-22)27-25(20-6-2-1-3-7-20)26-28(31-19-32-29(26)33-27)30-18-23-8-5-16-36-23/h1-3,6-7,10-13,19,23H,4-5,8-9,14-18H2,(H2,30,31,32,33)
InChIKeyMLQAHECZEBQZAW-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.88
Rot. Bonds9

About 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 11526153) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID11526153
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(-c2[nH]c3ncnc(NCC4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C29H31N5O3/c35-24-9-4-14-34(24)15-17-37-22-12-10-21(11-13-22)27-25(20-6-2-1-3-7-20)26-28(31-19-32-29(26)33-27)30-18-23-8-5-16-36-23/h1-3,6-7,10-13,19,23H,4-5,8-9,14-18H2,(H2,30,31,32,33)
InChIKeyMLQAHECZEBQZAW-UHFFFAOYSA-N
XLogP4.88
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 58603273
N-(cyclobutylmethyl)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11575833
ethyl 3-[(3-ethoxy-3-oxopropyl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]sulfonylamino]propanoate
CID 11686071
N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315
4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde
CID 11509547
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188
(4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone
CID 58603256
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22543071
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403164

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one (CID 11526153) is 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1ccc(-c2[nH]c3ncnc(NCC4CCCO4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is MLQAHECZEBQZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c35-24-9-4-14-34(24)15-17-37-22-12-10-21(11-13-22)27-25(20-6-2-1-3-7-20)26-28(31-19-32-29(26)33-27)30-18-23-8-5-16-36-23/h1-3,6-7,10-13,19,23H,4-5,8-9,14-18H2,(H2,30,31,32,33).
What are the key properties of 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 497.60 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(oxolan-2-ylmethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 11526153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).