4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H18FN5O3 — CID 11153639

IUPAC4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1F
InChIInChI=1S/C20H18FN5O3/c1-10-17(19(27)24-13-4-5-15-12(7-13)9-22-26-15)18(25-20(28)23-10)11-3-6-16(29-2)14(21)8-11/h3-9,18H,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28)
InChIKeyIYUJOEHDRMLQGE-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.98
Rot. Bonds4

About 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 11153639) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID11153639
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1F
InChIInChI=1S/C20H18FN5O3/c1-10-17(19(27)24-13-4-5-15-12(7-13)9-22-26-15)18(25-20(28)23-10)11-3-6-16(29-2)14(21)8-11/h3-9,18H,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28)
InChIKeyIYUJOEHDRMLQGE-UHFFFAOYSA-N
XLogP2.98
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 11153639) is 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is IYUJOEHDRMLQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-10-17(19(27)24-13-4-5-15-12(7-13)9-22-26-15)18(25-20(28)23-10)11-3-6-16(29-2)14(21)8-11/h3-9,18H,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 11153639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).