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

C27H26FN7O4 — CID 118888926

IUPAC4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]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(CCC(=O)NCc3ncc(C)o3)c2)NC(=O)N1
InChIInChI=1S/C27H26FN7O4/c1-14-11-30-23(39-14)13-29-22(36)8-4-16-9-17(3-6-20(16)28)25-24(15(2)32-27(38)34-25)26(37)33-19-5-7-21-18(10-19)12-31-35-21/h3,5-7,9-12,25H,4,8,13H2,1-2H3,(H,29,36)(H,31,35)(H,33,37)(H2,32,34,38)
InChIKeyPPSNGNNNGQIFQA-UHFFFAOYSA-N
MW531.55 g/mol
LogP3.51
Rot. Bonds8

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

4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 118888926) has the molecular formula C27H26FN7O4 and a molecular weight of 531.55 g/mol. Its IUPAC name is 4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID118888926
Molecular FormulaC27H26FN7O4
Molecular Weight531.55 g/mol
Exact Mass531.20
IUPAC Name4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]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(CCC(=O)NCc3ncc(C)o3)c2)NC(=O)N1
InChIInChI=1S/C27H26FN7O4/c1-14-11-30-23(39-14)13-29-22(36)8-4-16-9-17(3-6-20(16)28)25-24(15(2)32-27(38)34-25)26(37)33-19-5-7-21-18(10-19)12-31-35-21/h3,5-7,9-12,25H,4,8,13H2,1-2H3,(H,29,36)(H,31,35)(H,33,37)(H2,32,34,38)
InChIKeyPPSNGNNNGQIFQA-UHFFFAOYSA-N
XLogP3.51
TPSA154.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.55
LogP ≤ 53.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]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-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 118888926) is 4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]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-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]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-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]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(CCC(=O)NCc3ncc(C)o3)c2)NC(=O)N1.
What is the InChIKey of 4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is PPSNGNNNGQIFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O4/c1-14-11-30-23(39-14)13-29-22(36)8-4-16-9-17(3-6-20(16)28)25-24(15(2)32-27(38)34-25)26(37)33-19-5-7-21-18(10-19)12-31-35-21/h3,5-7,9-12,25H,4,8,13H2,1-2H3,(H,29,36)(H,31,35)(H,33,37)(H2,32,34,38).
What are the key properties of 4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 531.55 g/mol, XLogP of 3.51, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-[3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 118888926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).