N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine

C24H28FN7O2 — CID 90431530

IUPACN-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine
SMILESCc1cc2cc(Oc3nc(Nc4cc(C(C)C)no4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H28FN7O2/c1-14(2)19-12-22(34-30-19)27-20-13-21(32-7-5-31(4)6-8-32)29-24(28-20)33-17-10-16-9-15(3)26-23(16)18(25)11-17/h9-14,26H,5-8H2,1-4H3,(H,27,28,29)
InChIKeyPMOHYLOGEPUTAC-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.80
Rot. Bonds6

About N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine

N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 90431530) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine
PubChem CID90431530
Molecular FormulaC24H28FN7O2
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC NameN-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine
SMILESCc1cc2cc(Oc3nc(Nc4cc(C(C)C)no4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H28FN7O2/c1-14(2)19-12-22(34-30-19)27-20-13-21(32-7-5-31(4)6-8-32)29-24(28-20)33-17-10-16-9-15(3)26-23(16)18(25)11-17/h9-14,26H,5-8H2,1-4H3,(H,27,28,29)
InChIKeyPMOHYLOGEPUTAC-UHFFFAOYSA-N
XLogP4.80
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine with MolForge

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Related Compounds

2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90147349
3-methyl-N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 90431473
N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 90147519
5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 118446820
2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 118446727
2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 118446509
N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-ethyl-1,2-oxazol-5-amine
CID 160548406
[3-[[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]methanol
CID 118446810
3-cyclopropyl-N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 90147477
2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90147350
N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 90147501
3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 158725556

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine (CID 90431530) is N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine is Cc1cc2cc(Oc3nc(Nc4cc(C(C)C)no4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1.
What is the InChIKey of N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is PMOHYLOGEPUTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-14(2)19-12-22(34-30-19)27-20-13-21(32-7-5-31(4)6-8-32)29-24(28-20)33-17-10-16-9-15(3)26-23(16)18(25)11-17/h9-14,26H,5-8H2,1-4H3,(H,27,28,29).
What are the key properties of N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine?
N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine has a molecular weight of 465.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 90431530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).