4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C26H25FN8O3 — CID 118888935

IUPAC4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)N(C)Cc3cc(C)[nH]n3)c2)NC(=O)N1
InChIInChI=1S/C26H25FN8O3/c1-13-8-18(33-32-13)12-35(3)25(37)19-10-15(4-6-20(19)27)23-22(14(2)29-26(38)31-23)24(36)30-17-5-7-21-16(9-17)11-28-34-21/h4-11,23H,12H2,1-3H3,(H,28,34)(H,30,36)(H,32,33)(H2,29,31,38)
InChIKeyVMUHCBLMQWIREU-UHFFFAOYSA-N
MW516.54 g/mol
LogP3.27
Rot. Bonds6

About 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 118888935) has the molecular formula C26H25FN8O3 and a molecular weight of 516.54 g/mol. Its IUPAC name is 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID118888935
Molecular FormulaC26H25FN8O3
Molecular Weight516.54 g/mol
Exact Mass516.20
IUPAC Name4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)N(C)Cc3cc(C)[nH]n3)c2)NC(=O)N1
InChIInChI=1S/C26H25FN8O3/c1-13-8-18(33-32-13)12-35(3)25(37)19-10-15(4-6-20(19)27)23-22(14(2)29-26(38)31-23)24(36)30-17-5-7-21-16(9-17)11-28-34-21/h4-11,23H,12H2,1-3H3,(H,28,34)(H,30,36)(H,32,33)(H2,29,31,38)
InChIKeyVMUHCBLMQWIREU-UHFFFAOYSA-N
XLogP3.27
TPSA147.90 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.54
LogP ≤ 53.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide
CID 118417573
Gsk180736A
CID 11233873
4-(4-fluorophenyl)-N-1H-indazol-5-yl-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide
CID 11360518
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide
CID 11597345
Dihydropyrimidinyl indazole amide 3
CID 90912537
4-[3-[2-[(2,6-dimethylphenyl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888913
4-(4-fluoro-3-((pyridin-2-ylmethyl)carbamoyl)phenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 118888941
4-[3-[(2,6-difluorophenyl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888942
2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863
(4s)-4-(4-Fluorophenyl)-N-(2h-Indazol-5-Yl)-6-Methyl-2-Oxo-1,2,3,4-Tetrahydropyrimidine-5-Carboxamide
CID 117072130
CID 118888905
CID 118888905
2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide
CID 134540391

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 118888935) is 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)N(C)Cc3cc(C)[nH]n3)c2)NC(=O)N1.
What is the InChIKey of 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is VMUHCBLMQWIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O3/c1-13-8-18(33-32-13)12-35(3)25(37)19-10-15(4-6-20(19)27)23-22(14(2)29-26(38)31-23)24(36)30-17-5-7-21-16(9-17)11-28-34-21/h4-11,23H,12H2,1-3H3,(H,28,34)(H,30,36)(H,32,33)(H2,29,31,38).
What are the key properties of 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 516.54 g/mol, XLogP of 3.27, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 118888935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).