5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C20H16FN5O2 — CID 162434006

IUPAC5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1-n1ccc(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN5O2/c1-12-18(9-17(25-24-12)16-10-22-20(28)23-19(16)27)26-7-6-14(11-26)8-13-2-4-15(21)5-3-13/h2-7,9-11H,8H2,1H3,(H2,22,23,27,28)
InChIKeyLNKNYDHAUSOJBP-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.35
Rot. Bonds4

About 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 162434006) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID162434006
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1-n1ccc(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN5O2/c1-12-18(9-17(25-24-12)16-10-22-20(28)23-19(16)27)26-7-6-14(11-26)8-13-2-4-15(21)5-3-13/h2-7,9-11H,8H2,1H3,(H2,22,23,27,28)
InChIKeyLNKNYDHAUSOJBP-UHFFFAOYSA-N
XLogP2.35
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664477
3-[4-[(4-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118146814
3-[4-[(2-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118146849
3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118146984
5-(3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6-phenylnicotinamide
CID 118392439
sEH-IN-12
CID 118902251
N-[6-(2-amino-2-oxoethyl)-2-phenylpyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393146
N-(6-((2,5-dioxoimidazolidin-1-yl)methyl)-2-phenylpyridin-3-yl)-2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393301
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenylpyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 118393347
1,3,10-trimethyl-5-phenylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
CID 753711

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 162434006) is 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1-n1ccc(Cc2ccc(F)cc2)c1.
What is the InChIKey of 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is LNKNYDHAUSOJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-12-18(9-17(25-24-12)16-10-22-20(28)23-19(16)27)26-7-6-14(11-26)8-13-2-4-15(21)5-3-13/h2-7,9-11H,8H2,1H3,(H2,22,23,27,28).
What are the key properties of 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 377.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 162434006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).