7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C25H20FN5O4 — CID 158750989

IUPAC7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5ccc(F)cc5)c[nH]c34)cc2C1
InChIInChI=1S/C25H20FN5O4/c26-17-4-1-14(2-5-17)8-21(33)31-19-11-27-23-22(19)29-13-30-24(23)25(34)28-10-15-3-6-20-16(7-15)9-18(32)12-35-20/h1-7,11,13,27H,8-10,12H2,(H,28,34)(H,31,33)
InChIKeyINMBUVCGDKITSE-UHFFFAOYSA-N
MW473.46 g/mol
LogP2.71
Rot. Bonds6

About 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 158750989) has the molecular formula C25H20FN5O4 and a molecular weight of 473.46 g/mol. Its IUPAC name is 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID158750989
Molecular FormulaC25H20FN5O4
Molecular Weight473.46 g/mol
Exact Mass473.15
IUPAC Name7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5ccc(F)cc5)c[nH]c34)cc2C1
InChIInChI=1S/C25H20FN5O4/c26-17-4-1-14(2-5-17)8-21(33)31-19-11-27-23-22(19)29-13-30-24(23)25(34)28-10-15-3-6-20-16(7-15)9-18(32)12-35-20/h1-7,11,13,27H,8-10,12H2,(H,28,34)(H,31,33)
InChIKeyINMBUVCGDKITSE-UHFFFAOYSA-N
XLogP2.71
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 44563190
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-benzylchroman-6-carboxamide
CID 44563191
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881514
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881516
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881563
N-(1H-benzimidazol-2-yl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
CID 11517907
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(5-methyl-2-pyridinyl)acetamide
CID 11525776
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyridin-2-ylacetamide
CID 11676986
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 11677252
1,3-dimethyl-6-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44451129
6-[4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44451165
1,3-dimethyl-6-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44451491

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 158750989) is 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5ccc(F)cc5)c[nH]c34)cc2C1.
What is the InChIKey of 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is INMBUVCGDKITSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O4/c26-17-4-1-14(2-5-17)8-21(33)31-19-11-27-23-22(19)29-13-30-24(23)25(34)28-10-15-3-6-20-16(7-15)9-18(32)12-35-20/h1-7,11,13,27H,8-10,12H2,(H,28,34)(H,31,33).
What are the key properties of 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 158750989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).