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

C24H18FN5O4 — CID 148521618

IUPAC7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5cccc(F)c5)c[nH]c34)cc2C1
InChIInChI=1S/C24H18FN5O4/c25-16-3-1-2-14(7-16)23(32)30-18-10-26-21-20(18)28-12-29-22(21)24(33)27-9-13-4-5-19-15(6-13)8-17(31)11-34-19/h1-7,10,12,26H,8-9,11H2,(H,27,33)(H,30,32)
InChIKeyMONBTVWUSZTOOE-UHFFFAOYSA-N
MW459.44 g/mol
LogP2.78
Rot. Bonds5

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

7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 148521618) has the molecular formula C24H18FN5O4 and a molecular weight of 459.44 g/mol. Its IUPAC name is 7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID148521618
Molecular FormulaC24H18FN5O4
Molecular Weight459.44 g/mol
Exact Mass459.13
IUPAC Name7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5cccc(F)c5)c[nH]c34)cc2C1
InChIInChI=1S/C24H18FN5O4/c25-16-3-1-2-14(7-16)23(32)30-18-10-26-21-20(18)28-12-29-22(21)24(33)27-9-13-4-5-19-15(6-13)8-17(31)11-34-19/h1-7,10,12,26H,8-9,11H2,(H,27,33)(H,30,32)
InChIKeyMONBTVWUSZTOOE-UHFFFAOYSA-N
XLogP2.78
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[(3-fluorobenzoyl)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
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
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
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclohexyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 46845957
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881480

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 148521618) is 7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 7-[(3-fluorobenzoyl)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)c5cccc(F)c5)c[nH]c34)cc2C1.
What is the InChIKey of 7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is MONBTVWUSZTOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O4/c25-16-3-1-2-14(7-16)23(32)30-18-10-26-21-20(18)28-12-29-22(21)24(33)27-9-13-4-5-19-15(6-13)8-17(31)11-34-19/h1-7,10,12,26H,8-9,11H2,(H,27,33)(H,30,32).
What are the key properties of 7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 459.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 148521618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).