N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide

C24H24F2N6O2 — CID 130303883

IUPACN-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(F)c2[nH]cc(-c3ncc(F)c(N[C@@H]4CCC[C@@H](NC(=O)c5ncoc5C)C4)n3)c2c1
InChIInChI=1S/C24H24F2N6O2/c1-12-6-16-17(9-27-21(16)18(25)7-12)22-28-10-19(26)23(32-22)30-14-4-3-5-15(8-14)31-24(33)20-13(2)34-11-29-20/h6-7,9-11,14-15,27H,3-5,8H2,1-2H3,(H,31,33)(H,28,30,32)/t14-,15-/m1/s1
InChIKeyXVDZCBBADWSDHH-HUUCEWRRSA-N
MW466.49 g/mol
LogP4.66
Rot. Bonds5

About N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 130303883) has the molecular formula C24H24F2N6O2 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID130303883
Molecular FormulaC24H24F2N6O2
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC NameN-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(F)c2[nH]cc(-c3ncc(F)c(N[C@@H]4CCC[C@@H](NC(=O)c5ncoc5C)C4)n3)c2c1
InChIInChI=1S/C24H24F2N6O2/c1-12-6-16-17(9-27-21(16)18(25)7-12)22-28-10-19(26)23(32-22)30-14-4-3-5-15(8-14)31-24(33)20-13(2)34-11-29-20/h6-7,9-11,14-15,27H,3-5,8H2,1-2H3,(H,31,33)(H,28,30,32)/t14-,15-/m1/s1
InChIKeyXVDZCBBADWSDHH-HUUCEWRRSA-N
XLogP4.66
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 130303883) is N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1cc(F)c2[nH]cc(-c3ncc(F)c(N[C@@H]4CCC[C@@H](NC(=O)c5ncoc5C)C4)n3)c2c1.
What is the InChIKey of N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is XVDZCBBADWSDHH-HUUCEWRRSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c1-12-6-16-17(9-27-21(16)18(25)7-12)22-28-10-19(26)23(32-22)30-14-4-3-5-15(8-14)31-24(33)20-13(2)34-11-29-20/h6-7,9-11,14-15,27H,3-5,8H2,1-2H3,(H,31,33)(H,28,30,32)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[[5-fluoro-2-(7-fluoro-5-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 130303883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).