N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C24H21FN6O5 — CID 86296181

IUPACN-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCC1=C(C(=O)Nc2cnc3nc(-c4cc(NC(=O)c5oc(C)nc5C)ccc4F)cn3c2)OCCO1
InChIInChI=1S/C24H21FN6O5/c1-12-20(36-14(3)27-12)22(32)28-15-4-5-18(25)17(8-15)19-11-31-10-16(9-26-24(31)30-19)29-23(33)21-13(2)34-6-7-35-21/h4-5,8-11H,6-7H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyBVOSHUVHILYEEF-UHFFFAOYSA-N
MW492.47 g/mol
LogP3.61
Rot. Bonds5

About N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 86296181) has the molecular formula C24H21FN6O5 and a molecular weight of 492.47 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID86296181
Molecular FormulaC24H21FN6O5
Molecular Weight492.47 g/mol
Exact Mass492.16
IUPAC NameN-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCC1=C(C(=O)Nc2cnc3nc(-c4cc(NC(=O)c5oc(C)nc5C)ccc4F)cn3c2)OCCO1
InChIInChI=1S/C24H21FN6O5/c1-12-20(36-14(3)27-12)22(32)28-15-4-5-18(25)17(8-15)19-11-31-10-16(9-26-24(31)30-19)29-23(33)21-13(2)34-6-7-35-21/h4-5,8-11H,6-7H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyBVOSHUVHILYEEF-UHFFFAOYSA-N
XLogP3.61
TPSA132.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 86296181) is N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is CC1=C(C(=O)Nc2cnc3nc(-c4cc(NC(=O)c5oc(C)nc5C)ccc4F)cn3c2)OCCO1.
What is the InChIKey of N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is BVOSHUVHILYEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O5/c1-12-20(36-14(3)27-12)22(32)28-15-4-5-18(25)17(8-15)19-11-31-10-16(9-26-24(31)30-19)29-23(33)21-13(2)34-6-7-35-21/h4-5,8-11H,6-7H2,1-3H3,(H,28,32)(H,29,33).
What are the key properties of N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 492.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 86296181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).