N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine

C24H23F2N5O — CID 139410311

IUPACN-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine
SMILESCc1cc(Nc2ncc(F)c(-c3cc(F)c4c(c3)N(C(C)C)CCO4)n2)cc2[nH]ccc12
InChIInChI=1S/C24H23F2N5O/c1-13(2)31-6-7-32-23-18(25)9-15(10-21(23)31)22-19(26)12-28-24(30-22)29-16-8-14(3)17-4-5-27-20(17)11-16/h4-5,8-13,27H,6-7H2,1-3H3,(H,28,29,30)
InChIKeyUZFRKGICMGIEDM-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.56
Rot. Bonds4

About N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine

N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine (PubChem CID 139410311) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine.

Molecular Properties

Compound NameN-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine
PubChem CID139410311
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine
SMILESCc1cc(Nc2ncc(F)c(-c3cc(F)c4c(c3)N(C(C)C)CCO4)n2)cc2[nH]ccc12
InChIInChI=1S/C24H23F2N5O/c1-13(2)31-6-7-32-23-18(25)9-15(10-21(23)31)22-19(26)12-28-24(30-22)29-16-8-14(3)17-4-5-27-20(17)11-16/h4-5,8-13,27H,6-7H2,1-3H3,(H,28,29,30)
InChIKeyUZFRKGICMGIEDM-UHFFFAOYSA-N
XLogP5.56
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine?
The IUPAC name of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine (CID 139410311) is N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine.
What is the SMILES notation for N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine?
The canonical SMILES for N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine is Cc1cc(Nc2ncc(F)c(-c3cc(F)c4c(c3)N(C(C)C)CCO4)n2)cc2[nH]ccc12.
What is the InChIKey of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine?
The InChIKey is UZFRKGICMGIEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-13(2)31-6-7-32-23-18(25)9-15(10-21(23)31)22-19(26)12-28-24(30-22)29-16-8-14(3)17-4-5-27-20(17)11-16/h4-5,8-13,27H,6-7H2,1-3H3,(H,28,29,30).
What are the key properties of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine?
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine has a molecular weight of 435.48 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine is sourced from PubChem (CID 139410311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).