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

C25H29N7O2 — CID 90147477

IUPAC3-cyclopropyl-N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCc1cc2c(C)c(Oc3nc(Nc4cc(C5CC5)no4)cc(N4CCN(C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C25H29N7O2/c1-15-12-18-16(2)21(7-6-19(18)26-15)33-25-28-22(27-24-13-20(30-34-24)17-4-5-17)14-23(29-25)32-10-8-31(3)9-11-32/h6-7,12-14,17,26H,4-5,8-11H2,1-3H3,(H,27,28,29)
InChIKeyGAHQJAWUOFIZMF-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.73
Rot. Bonds6

About 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

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 (PubChem CID 90147477) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
PubChem CID90147477
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name3-cyclopropyl-N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCc1cc2c(C)c(Oc3nc(Nc4cc(C5CC5)no4)cc(N4CCN(C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C25H29N7O2/c1-15-12-18-16(2)21(7-6-19(18)26-15)33-25-28-22(27-24-13-20(30-34-24)17-4-5-17)14-23(29-25)32-10-8-31(3)9-11-32/h6-7,12-14,17,26H,4-5,8-11H2,1-3H3,(H,27,28,29)
InChIKeyGAHQJAWUOFIZMF-UHFFFAOYSA-N
XLogP4.73
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-cyclopropyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 159353891
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-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine
CID 90147518
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 90147403
2-[(4-chloro-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 90147364
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
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90431605
N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 90147519
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90431659
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine
CID 90431650
2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 90147331

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(C)c(Oc3nc(Nc4cc(C5CC5)no4)cc(N4CCN(C)CC4)n3)ccc2[nH]1.
What is the InChIKey of 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?
The InChIKey is GAHQJAWUOFIZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-15-12-18-16(2)21(7-6-19(18)26-15)33-25-28-22(27-24-13-20(30-34-24)17-4-5-17)14-23(29-25)32-10-8-31(3)9-11-32/h6-7,12-14,17,26H,4-5,8-11H2,1-3H3,(H,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 459.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90147477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).