N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

C23H27N5O4 — CID 92631432

IUPACN-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)CNC(C)=O)nc21
InChIInChI=1S/C23H27N5O4/c1-14-17-11-20(30)28(13-16-7-4-5-9-19(16)32-3)23(17)26-22(25-14)18-8-6-10-27(18)21(31)12-24-15(2)29/h4-5,7,9,18H,6,8,10-13H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyNIMIVJJIXCOVEH-SFHVURJKSA-N
MW437.50 g/mol
LogP1.68
Rot. Bonds6

About N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 92631432) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID92631432
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)CNC(C)=O)nc21
InChIInChI=1S/C23H27N5O4/c1-14-17-11-20(30)28(13-16-7-4-5-9-19(16)32-3)23(17)26-22(25-14)18-8-6-10-27(18)21(31)12-24-15(2)29/h4-5,7,9,18H,6,8,10-13H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyNIMIVJJIXCOVEH-SFHVURJKSA-N
XLogP1.68
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110261732
N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630611
N-[2-[2-[7-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110261737
N-[2-[(2R)-2-[7-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92629514
2-(1-acetylpiperidin-3-yl)-7-[(2-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261789
7-[(2-methoxyphenyl)methyl]-4-methyl-2-[(3S)-1-propanoylpiperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631500
7-[(2-methoxyphenyl)methyl]-4-methyl-2-(1-propanoylpiperidin-3-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261816
N-[2-[2-[4-methyl-8-[(4-methylphenyl)methyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110260865
N-[2-[(2R)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630420
1-[(2R)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95833066
1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95832990
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260627

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 92631432) is N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)CNC(C)=O)nc21.
What is the InChIKey of N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is NIMIVJJIXCOVEH-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-14-17-11-20(30)28(13-16-7-4-5-9-19(16)32-3)23(17)26-22(25-14)18-8-6-10-27(18)21(31)12-24-15(2)29/h4-5,7,9,18H,6,8,10-13H2,1-3H3,(H,24,29)/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 92631432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).