7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C29H32N4O3 — CID 158227005

IUPAC7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
InChIInChI=1S/C29H32N4O3/c1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3/h4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3/t23-/m0/s1
InChIKeyHGOXSUJAUAXFJN-QHCPKHFHSA-N
MW484.60 g/mol
LogP4.61
Rot. Bonds7

About 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158227005) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID158227005
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
InChIInChI=1S/C29H32N4O3/c1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3/h4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3/t23-/m0/s1
InChIKeyHGOXSUJAUAXFJN-QHCPKHFHSA-N
XLogP4.61
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158227005) is 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is COC[C@@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.
What is the InChIKey of 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is HGOXSUJAUAXFJN-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3/h4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3/t23-/m0/s1.
What are the key properties of 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 484.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158227005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).